Exploring NOVEL GSK-3Β INHIBITORS FOR ANTI-NEUROINFLAMMATORY AND NEUROPROTECTIVE EFFECTS: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation 🧪🧠

In Alzheimer's disease, the overexpression of GSK-3β plays a crucial role in promoting amyloid β and tau protein accumulation, as well as neuroinflammation. This study introduces a novel GSK-3β inhibitor, compound 36, with an impressive IC50 of 70 nM. Through crystallography and quantum mechanical analysis, its binding mode and key structural features for inhibitory potency were elucidated.

🧬✨ GENETIC CODE EXPANSION: Recent Developments and Emerging Applications 🔬🌟

Genetic code expansion (GCE) has transformed chemical and synthetic biology by enabling site-specific incorporation of noncanonical amino acids into proteins. This review covers GCE principles, including optimization of the aaRS/tRNA system and advancements in translation system engineering. Key developments involve aaRS/tRNA pair refinement, screening method enhancements, and ncAA biosynthesis. GCE applications span synthetic biology, medicine, drug development, vaccines, and gene editing.

🧬✨ CHIRAL NANOSTRUCTURES FROM ARTIFICIAL HELICAL POLYMERS: Recent Advances in Synthesis, Regulation, and Functions 🔬🌟

Helical structures in DNA and proteins exhibit inherent chirality, crucial for their macroscopic functions. To mimic these natural chiral nanoarchitectures, artificial helical polymers are prepared and observed using microscopy techniques. This review focuses on forming chiral nanostructures and regulating their morphology through various factors. Additionally, it explores their distinct chiral functions, including chiral recognition, luminescence, drug release, cell imaging, and antibiosis.

🧬✨P4: Creation and Optimization of Artificial Metalloenzymes: Harnessing the Power of Directed Evolution and Beyond 🚀🔬

by Zhi Zou et al., https://lnkd.in/giEKrXNg

🔬✨P3: Designing Artificial Metalloenzymes by Tuning of the Environment Beyond the Primary Coordination Sphere 🌟🧬

Metalloenzymes catalyze reactions using natural amino acids and metallocofactors. The environment beyond the primary coordination sphere significantly influences their catalytic properties. However, pinpointing the structural features responsible for this tuning has been challenging due to numerous and weak interactions. Artificial metalloenzymes (ArMs) offer a way to study these interactions and develop practical catalysts. This review highlights the impact of secondary coordination spheres on metal binding and catalysis in ArMs, focusing on the design using native protein scaffolds through rational design, computational modeling, and directed evolution. Successes in designing various ArMs are discussed, emphasizing the control of secondary sphere interactions. The review concludes with future directions for understanding and designing more efficient ArMs.

P2: ARTIFICIAL METALLOENZYMES: CHALLENGES AND OPPORTUNITIES🌟🧪

Artificial metalloenzymes (ArMs) integrate abiotic metal cofactors into protein scaffolds. Over the past 60 years, the field has expanded from transition metals on silk fibers to diverse reaction classes and innovative assembly methods, including covalent and supramolecular anchoring. The protein scaffolds have been selected, evolved, repurposed, or designed in silico. This review discusses recent prominent examples of ArMs, highlighting the challenges and opportunities in the field.

🚀🌟 Get Ready to Dive into the World of 𝐀𝐫𝐭𝐢𝐟𝐢𝐜𝐢𝐚𝐥 𝐌𝐞𝐭𝐚𝐥𝐥𝐨𝐞𝐧𝐳𝐲𝐦𝐞𝐬! 🌿🔬

P1: Artificial Metalloenzymes: Reaction Scope & Optimization Strategies 🔍
P2: Artificial Metalloenzymes: Challenges and Opportunities 🌟🔬✨
P3: Designing Artificial Metalloenzymes by Tuning of the Environment Beyond the Primary Coordination Sphere 🌟🧬
P4: Creation and Optimization of Artificial Metalloenzymes: Harnessing the Power of Directed Evolution and Beyond 🚀🔬

🌟 Exciting Throwback! Straight from the Archives of Chiralpedia 🌟
🧬✨Molecular Handedness: How Chirality Shapes Molecules 👐

We're thrilled to bring back our insightful blog post, originally created for Chiralpedia! This is the second installment in our ten-part series, hashtag#ChiralityOnFriday. Chiral enthusiasts, dive into this enlightening read—it's the perfect way to start your day! ☕✨

🧬 Molecular Sensing of Chiral Carboxylic Acid Enantiomers Using CD Inductions in the Visible Light Region 🌈

Harnessing the reaction between a chiral carboxylic acid and 1,1′-bis(diphenylphosphino)ferrocenepalladium dichloride with a mild base, this method forms a chiroptically active metal complex with strong CD signals in the visible light region. This rapid, straightforward technique allows for quick chiroptical determination of enantiomeric composition and concentration in carboxylic acid samples. It’s broadly applicable to various structures, including drugs, natural products, amino acids, and hydroxy acids.

🌿 Biocatalysis: A Smart and Green Tool for the Preparation of Chiral Drugs 💊
🔬 Attention Medicinal Chemists! Discover the Power of Biocatalysis!

Over the last decades, biocatalysis has garnered significant interest due to its high efficiency, high yield, and eco-friendly processes in producing pharmacologically relevant compounds. It's a potent tool in the preparation of chiral molecules, and recent innovations in biotechnologies and nanotechnologies have opened a new era of further developments. Various strategies for synthesizing chiral drugs and their intermediates are now available, with enzymes serving as green tools offering numerous advantages.

Revolutionize Lead Optimization: Harnessing Generative AI for Structural Innovation!

Deep learning models are transforming drug discovery by accelerating lead optimization, refining existing molecules into viable drug candidates. Lead optimization methods are classified as either goal-directed or structure-directed, with an emphasis on the practical applications of the latter. Key tasks in structure-directed optimization include fragment replacement, linker design, scaffold hopping, and side-chain decoration.

Development and Therapeutic Perspectives of CXCR4 Antagonists for Disease Therapy - Exploring Horizons: 🌟🔬

CXCR4, a GPCR family receptor widely distributed in human tissues, plays a role in diseases like HIV-1, cancer, inflammation, and leukemia, making it a key drug target. Clinical trials on CXCR4 antagonists have focused on peptides, antibodies, and some small molecule compounds like AMD11070 and MSX-122, showing promise in cancer treatment.

💥1,3-Diazepine: A Versatile Scaffold in Medicinal Chemistry - Pioneering Therapeutic Innovations! 🌟🔬

🔬 Attention Medicinal Chemists! Discover the Power of Privileged Structures!
The Significance of 1,3-Diazepines Privileged structures have long been effective templates in drug discovery. While benzo-1,4-diazepine is the first historical example, the 1,3-analogue holds equal importance in medicinal chemistry. The 1,3-diazepine moiety is present in many bioactive compounds, including natural products and clinically used drugs like pentostatin, avibactam, and coformycin.

🌱 Sustainable and Green Chemistry Approaches for Synthesizing Quinoline Derivatives as Anticancer Agents" - Unveiling Innovations🌟💊

Quinolones, a key class of heterocycles, are gaining popularity due to their promising properties in chemotherapy for cancer. Quinoline-based drugs like lenvatinib, carbozantinib, bosutinib, and tipifarnib are notable anticancer agents. Traditional synthesis methods for quinolines include Gould-Jacobs, Conrad-Limpach, and Skraup, among others, but they have drawbacks like long reaction times and hazardous chemicals. Researchers are now focused on green synthesis approaches for quinoline compounds.

Benzofuran and Benzo[b]thiophene-2-Carboxamide Derivatives as Modulators of Amyloid Beta (Aβ42) Aggregation

A group of novel benzofuran and benzothiophene-based small molecules were synthesized and evaluated as modulators of amyloid-beta aggregation. The results show that these molecules can be chemically modified to act as either inhibitors or promoters of amyloid-beta aggregation. This study highlights their potential for developing new diagnostics and therapeutics for Alzheimer's disease.

🧪 Synthesis Strategies and Anti-Parasitic Evaluation of Novel Compounds for Chagas Disease: 🦠 Advancing Drug Discovery Through Structure-Activity Relationships 🔬

This study explores the synthesis of novel compounds targeting Chagas Disease (CD) caused by Trypanosoma cruzi, affecting over 6-7 million people globally. It investigates diverse compound classes, including thiazoles, imidazoles, pyrazoles, and others, highlighting those with superior trypanocidal activity compared to standard drugs. Noteworthy findings include neolignan derivatives and triketone compounds demonstrating strong anti-parasitic activity.

Biocatalytic Generation of Trifluoromethyl Radicals by Nonheme Iron Enzymes for Enantioselective Alkene Difunctionalization

The trifluoromethyl (−CF3) group is prevalent in pharmaceuticals. Despite advances in synthetic methods, no metalloenzymes catalyze C(sp3)–CF3 bond formation. This study demonstrates that hydroxymandelate synthase from Amycolatopsis orientalis (AoHMS) generates CF3 radicals from hypervalent iodine(III) reagents for enantioselective alkene trifluoromethyl azidation. An established HTS platform evaluates AoHMS variants, achieving up to 73% yield and 96:4 enantiomeric ratio. The biocatalytic platform extends to pentafluoroethyl azidation and diazidation, expanding metalloenzyme applications in radical transformations and organofluorine synthesis.

🎯 Targeted Protein Degradation: Current Strategies and Future Prospects 🧬

Targeted protein degradation (TPD) is a promising therapeutic approach, including strategies like PROTACs, molecular glues, HyTTD, and LYTACs. 🔬 Small molecule ligands play a critical role in mediating target protein degradation via the proteasome, lysosome, autophagy, or hydrophobic-tagging systems.

🧪 New FDA Drug Approvals for 2024: Synthesis and Clinical Application🔬

In 2024, the FDA approved a remarkable array of new drugs, including 32 new chemical entities (NCEs) and 18 biological entities (NBEs). Leading the charge in innovation, small-molecule chemical drugs targeted key areas like LACTB, PBP, THR-β, Raf, PDE3/4, and HIF. Monoclonal antibodies and other groundbreaking treatments followed, addressing a wide range of diseases, particularly rare conditions and cancers. Many of these drugs received accelerated approval to meet urgent medical needs.

🧪 Unlocking Chiral Sulfinimidoyl Electrophiles: Asymmetric Synthesis of Sulfinamides Catalyzed by Anionic Stereogenic-at-Cobalt(III) Complexes 🔬

Anionic stereogenic-at-cobalt(III) complex-catalyzed asymmetric synthesis of chiral sulfinamides using sulfinimidoyl iodide intermediates has been developed. This method addresses challenges in sulfur stereochemistry and offers an efficient approach to create stereogenic-at-sulfur compounds, such as sulfinamides, with high enantiomeric purity. These sulfinamides demonstrate significant antifungal activities against Sclerotinia sclerotiorum and serve as valuable precursors for stereospecific transformations into various aza-sulfur compounds.

Breaking Boundaries: Unveiling 8-(Azaindolyl)-Benzoazepinones for Potent and Selective ROCK Inhibition! 🌟🔬

The characterization of potent and selective ROCK inhibitors through a core-hopping strategy is presented. Using a virtual screening workflow with ligand- and structure-based methods, a benzoazepinone ring was identified as a promising replacement for the acetamido-thiazole scaffold. This design approach leveraged SARs and crystallographic data to optimize the hinge-binding group and the terminal aromatic moiety. The introduction of elongated, flexible charged groups resulted in compound 15, which exhibited sub-nanomolar potencies in assays and remarkable selectivity over PKA. HDX studies confirmed the binding mode and the role of specific ROCK peptide segments in driving ligand selectivity.

💥The Cosmic Coin Toss: How Chirality Shaped Life’s Genetic Code✨🔍

Recent discoveries suggest that RNA's influence on life's preference for left-handed proteins might be more about evolutionary pressures than chemical bias. NASA's latest research sheds light on this intriguing aspect of molecular biology, offering fresh insights into the origins of life. 🌱🧬✨

Unveiling the Nitrosamines Crisis in Pharmaceuticals: Toxicology, Causes, and Risk Assessment

The presence of N-nitrosamines in pharmaceuticals raises global safety concerns due to their genotoxic and mutagenic effects. This review explores their toxicity in active pharmaceutical ingredients (APIs), drug products, and excipients, and discusses detection methods, root cause analysis, reformulation strategies, and regulatory guidelines. It focuses on the molecular toxicity of N-nitrosamines and highlights the development of nitrosamine-free products and the importance of accurate detection and risk evaluation.

💥 Flashback Alert! Dive into Chiralpedia's Archives 🕰️🗝️

Step back into our illuminating blog series, hashtag#ChiralityOnFriday, originally crafted for Chiralpedia! This first installment in our ten-part series (1/10) on Chirality is the perfect weekend morning read with your coffee. Chiral enthusiasts, enjoy this chiral treat! ☕✨

✨ PROTAC Unleashed: Unveiling the Synthetic Approaches and Potential Therapeutic Applications 💊

Proteolysis-Targeting Chimeras (PROTACs) are bifunctional small molecules that degrade disease-associated proteins via the ubiquitin-proteasome system, offering a novel therapeutic strategy for various diseases. This review covers synthetic approaches for PROTAC building blocks, recent advancements in PROTAC-mediated degradation of oncogenic and disease-associated proteins, and the current landscape of PROTAC clinical trials. These findings highlight the versatility and translational potential of PROTACs in treating severe diseases.

✨🔬 Tetrazoles: A Multi-Potent Motif in Drug Design 💊🧬

Tetrazole scaffolds, with their unique physicochemical properties and bioisosterism, have garnered significant attention in medicinal chemistry. Despite their prevalence in FDA-approved drugs for various conditions, such as cancer, infections, asthma, hypertension, Alzheimer's, malaria, and tuberculosis, our understanding of their structure-activity relationships and mechanisms remains limited.

🧠🔬 Progress in the Study of Anti-Alzheimer's Disease Activity of Pyrimidine-Containing Bioactive Molecules 💊✨

Pyrimidines, aromatic heterocyclic compounds with a six-membered ring, exhibit various biological activities, including antifungal, antiviral, and anti-Parkinsonian effects. Recent research highlights their potential anti-Alzheimer's properties. Several pyrimidine-based drugs are in clinical trials, showing promise for drug development. Structural modifications, such as introducing heteroatoms or altering linkage lengths, enhance their efficacy against Alzheimer's.

Cutting-Edge Trends in Computer-Aided Drug Design: Spotlight on Computationally Discovered Pharmaceuticals

Computer-aided drug design (CADD) has become crucial in pre-clinical drug discovery, leveraging various computational techniques and software. This review analyzed over 600 publications on virtual screening, molecular docking, and other computational methods. Key findings include the extensive use of the ZINC database and AutoDock software, with many studies also incorporating molecular dynamics simulations. Despite limited use, density functional theory was noted. Since CADD's inception, over 70 approved drugs have been developed, underscoring its growing impact on the field.

🔬✨ Asymmetric Synthesis and Biological Evaluation of Both Enantiomers of 5- and 6-Boronotryptophan as Potential Boron Delivery Agents for Boron Neutron Capture Therapy 🧬⚛️

To effectively utilize Boron Neutron Capture Therapy (BNCT), novel boron carriers must meet specific criteria, such as sufficient accumulation in tumor tissue, favorable ratios in blood and healthy tissue, and suitable pharmacokinetic properties. Current boron carriers fall short of these standards. This study developed new boronated tryptophan derivatives to efficiently deliver boron into tumor cells.

🚨🔬 Confronting Risks of Mirror Life🪞🌍

🔬 Medicinal/Chiral Chemists Alert!🧪 Don't miss out on this essential read that dives deep into the transformative and risky world of mirror life technology.🪞🌟

Construction of Axially Chiral 4-Aminoquinolines by Cycloaddition and Central-to-Axial Chirality Conversion

A two-step strategy for enantioselective synthesis of 4-aminoquinolines with axial chirality has been developed. It uses chiral phosphoric acid-catalyzed cycloaddition and DDQ oxidation, yielding 1,1′-biaryl-2,2′-amino alcohol derivatives with up to 98% yield and 93% ee. The synthetic transformation of products was also explored.

🌟In Pursuit of Lead Innovation: Pharmaceutically Important and Distinct Amide-Free Succinate Dehydrogenase Inhibitors 💊🧬🔬

Though SDHIs are successful in agrochemicals, resistance risk is classified as "medium to high" due to conserved amide chemotypes. This insightful review highlights recent progress in SDHIs without amides from synthetic and natural sources, focusing on biological activities and mechanisms. It covers synthetic advances in complex natural products to inspire new pharmaceutical discoveries and discusses challenges and strategies for SDHI development. Gain valuable insights for combating resistance to commercial agrochemicals.

💥🔬 Breaking Through Physiological Barriers: Nanorobotic Strategies for Active Drug Delivery 🚀💊

Self-propelled micro/nanomotors (MNMs) revolutionize precision drug delivery by navigating complex physiological environments to target therapeutic agents precisely, overcoming systemic toxicity, limited bioavailability, and nonspecific distribution.

🔬✨ Click Chemistry Methodology: The Novel Paintbrush of Drug Design 🧪🎨

This review article is a must-read for anyone interested in the latest advancements in medicinal chemistry. This powerful technique, known for creating reliable covalent linkages, is revolutionizing drug discovery and development. From DNA-encoded libraries to antisense oligonucleotides and protein–drug conjugates, this review delves into the critical applications and future outlook of click chemistry. Medicinal chemist community, make sure to catch this enlightening article and stay ahead in the field!" ✨Don't Miss Out on This Insightful Review! ✨

Speed of Light: Transforming Medicinal Chemistry with Photoredox Cross-Coupling

This Perspective details the strategic deployment of photoredox-mediated, metal-catalyzed cross-coupling reactions in AbbVie's medicinal chemistry. It discusses the comprehensive evaluation of setups and methods, internal expertise building, and high-throughput experimentation. AbbVie's academic-industry collaborations are highlighted, leading to robust photocatalysis and cross-coupling capabilities, which are now key platforms for their medicinal chemistry research.

My 50-Plus Years of Academic Research Collaborations with Industry. A Retrospective 🌟

Like a tapestry woven with threads of innovation and discovery, this retrospective journey through over 50 years of academic-industry collaborations reveals the intricate patterns of scientific advancement. It is a must read!!!🧩

🔬💡 Developing Dual-Responsive Quinolinium Prodrugs of 8-Hydroxyquinoline by Harnessing the Dual Chelating Sites 🔄🧪

This research highlights novel applications for quaternary ammonium prodrugs and dual-responsive prochelators in targeted cancer therapy.

🎉✨ Let's start 2025 with an intriguing read! ✨📖

Dive into the article, "Advanced AI and ML Frameworks for Transforming Drug Discovery and Optimization."

🏵️Chemists Invent Drugs and Drugs Save Lives🔬 💊

🌟✨ I believe this post, "Chemists Invent Drugs and Drugs Save Lives," will be the perfect way to close 2024 on a high note. Thank you all for your incredible support and engagement this year. See you in the NEW YEAR 2025!!! 🎉🥳 Let's continue to make great strides together! 🚀

🎉✨ 2024 LinkedIn Unwrapped: The Year in Review! ✨🎉

Reflecting on the highlights, achievements, and moments that made this year unforgettable. Your support and engagement have been invaluable to my growth. Sharing insights and knowledge with you has been immensely rewarding. Here are a few of the standout posts that truly resonated with you this year.

🌟 Global Chirality within 2D Materials 🪞🔬

Research into 2D materials has surged since graphene's discovery, revealing diverse properties. Recently, global chirality has emerged in ultrathin chiral 2D crystals. This perspective explores the fundamentals and future directions, highlighting design strategy, synthesis, structural characterization, physical properties, and applications. Local chirality can be transmitted and amplified in 2D structures, resulting in unique global chirality with sophisticated functions.

🌟 Aziridine Group Transfer via Transient N-Aziridinyl Radicals 🌟

Dive into the fascinating world of aziridine group transfer via transient N-aziridinyl radicals. Discover how these smallest nitrogen-containing heterocycles, with their unique electrophilicity, are transforming organic synthesis. This article explores the innovative use of N-aziridinyl radicals in transferring intact aziridine fragments, opening new pathways in synthetic chemistry.

Oxetanes: Revolutionizing Drug Discovery and Medicinal Chemistry with Unmatched Potential! 🌟🔬

Highlights Take Away:
# Disease-related targets for oxetane-containing (pre)clinical drug candidates summarized.
# Contribution of oxetane motif to potency, target selectivity, and drug-like properties highlighted.
# Important insights provided to inspire future discoveries of bioactive oxetane-containing small molecules.

Protein Disulfide Isomerase Inhibitors in Cancer Therapy 🌟🔬

During my exploration of cancer research,, I came across an intriguing paper titled "Protein Disulfide Isomerase Inhibitors in Cancer Therapy, 2024." I'm excited to share this with you. Medicinal chemists focused on antineoplastic drugs will find it particularly insightful. Check it out for some valuable insights!

Should We Publish Fewer Papers❓📝📚
📢 Time to Publish Less? A Call for Quality Over Quantity in Academic Research 📝

In today's fast-paced world, academic researchers face the overwhelming pressure of constant publication demands. The editorial, "Should We Publish Fewer Papers?" delves into this pressing issue, urging the community to shift focus towards fewer but higher quality publications. With the rapid rise of AI tools, this call for significant, original research is more important than ever.

🌟 Don't Miss This Insightful Perspective! 🌟
Dive into the evolving world of synthetic lethality in cancer treatment.

The latest piece, "New Horizons of Synthetic Lethality in Cancer: Current Development and Future Perspectives" explores groundbreaking advancements and future opportunities in this promising field. Learn about the latest targets, inhibitors, and therapeutic strategies shaping the future of personalized cancer therapies.

Medicinal Chemistry of Drugs with N-Oxide Functionalities 🏵️ 💊

N-oxide molecules are vital in medicinal chemistry, serving as intermediates, prodrugs, drugs, or polymers. The N-oxide group is crucial for their biomedical applications, providing water solubility, reducing membrane permeability, or having specific redox reactivity for drug targeting and cytotoxicity. Recently discovered mechanisms and growing applications highlight their importance.

🌟 A Journey Back in Time: Directly from the Chiralpedia Vault 🌟
♻️The Future of Asymmetric Synthesis: Trends and Innovations 🌱

Excited to revisit our insightful blog post on "The Future of Asymmetric Synthesis: Trends and Innovations" originally featured on Chiralpedia! This marks the final installment in our five-part series on Asymmetric Synthesis.

Breakthroughs in Chemistry: Recent Advances in Nonprecious Metal Catalysis! 🔬💡

This review series focuses on recent advancements in nonprecious metal catalysis, highlighting practical transformations and raising awareness of the need for further development. Emphasis is placed on the potential of earth-abundant metals for broader applications in the chemical and pharmaceutical industries.

Thiophene and Its Derivatives: Unlocking Druggable Leads through Medicinal Chemistry Insights! 🌟🔬

Thiophene is a key pharmacophore in medicinal chemistry, recognized for its diverse biological activities. Ranked 4th in US FDA drug approvals for small molecules, around 7 thiophene-based drugs have been approved in the last decade. This review covers 26 US FDA-approved drugs with thiophene nuclei, highlighting their anti-diabetic, anticancer, anti-inflammatory, anticonvulsant, and antioxidant properties. It also explores structural bioinformatics and structure–activity relationships to identify chemical groups responsible for therapeutic effects. This review offers valuable insights for researchers developing novel thiophene analogues with enhanced efficacy and fewer side effects.

AI Powerhouses in Chemistry: The Top 20 Game-Changing Technologies Revolutionizing the Field! 🌟🧬

This study explores the rise of digital chemistry, focusing on AI's role in advancing chemical sciences. It highlights the top 20 AI-based technologies and 7 themes reshaping the field. The integration of digital tools like machine learning, big data, digital twins, IoT, robotic platforms, smart control, virtual reality, and blockchain enhances research, education, and industry practices. The study underscores these innovations' contributions to a more efficient, sustainable, and innovative future in chemistry, appealing to researchers, educators, and industry professionals.

🌟 Structural Modification Strategies of Triazoles in Anticancer Drug Development"- Breaking New Ground 🔬💊

The triazole functional group is crucial in biomolecules with potent anticancer activities, including many clinically approved drugs. Its strategic use in modifying lead compounds enhances anticancer activities, selectivity, pharmacokinetic properties, and resistance. Interest in triazole-containing hybrids has grown due to their significant anticancer potential.

PIONEERING PATHS: Chiral Inorganic Nanomaterials in Enantioselective Catalysis

Source: Li, S., et al. Emerging trends in chiral inorganic nanomaterials for enantioselective catalysis. Nat Commun 15, 3506

A Collection of Novel Antitumor Agents That Regulate Lipid Metabolism in the Tumor Microenvironment

by Jiahao Zhang et al https://lnkd.in/gVgpQXb6; https://lnkd.in/gShKgxyj

Harnessing Electrocatalysis with Biocatalysis for Asymmetric Synthesis! 💥🔬

The integration of electrocatalysis with biocatalysis offers a versatile approach for the stereoselective synthesis of valuable compounds, combining the efficiency of enzymes with the tunability of electrochemical reactions. Recent advances and future directions in this field highlight its broad prospects for asymmetric synthesis. More valuable stereoselective transformations using this integrated strategy are expected in the future.

Photochemistry in Medicinal Chemistry and Chemical Biology" - 💡Spotlight on Innovation: 🌟🔬

Explore the transformative role of photochemistry in expanding the chemical space for drug discovery and development.

💥 Enantioselective organocatalytic strategies to access noncanonical α-amino acids 🌟💊🔬

Organocatalytic asymmetric synthesis has evolved, capturing global research interest. Enantiopure noncanonical amino acids (ncAAs) are vital in organic synthesis, medicinal chemistry, and chemical biology for enhanced peptides, proteins, chiral catalysts, and ligand design. This perspective examines the synthesis of ncAAs through enantioselective organocatalysis, emulating natural biosynthetic processes. It covers classical and advanced methods for creating diverse ncAAs with various bonds and structures, and discusses the mechanisms of chirality transfer. Highlighting key activation, induction, and reactivity modes, it underscores their significance in modern chemistry.

✨The U.S. FDA-Approved Cardiovascular Drugs (2011-2023) - A Medicinal Chemistry Perspective - Illuminating Insight:! 🌟

Cardiovascular disease (CVD) remains the leading global cause of morbidity and mortality. Between 2011 and 2023, the FDA approved 28 new molecular entities (NMEs) for CVD treatment. These include 22 new chemical entities (NCEs) such as inhibitors, agonists, polymers, and inorganic compounds, as well as 6 biological agents (BLAs), including monoclonal antibodies, siRNAs, and antisense oligonucleotides.

🔬 Fragment-to-Lead Medicinal Chemistry Publications in 2022 🌟💊

Be sure to catch the latest Perspective in this annual series, summarizing the most successful fragment-to-lead (F2L) case studies from 2022.

A new era of synthetic biology - microbial community design

Synthetic biology views biological complexity as networks of parts, devices, and systems with specific functions, impacting research significantly. With the ability to synthesize and transfer DNA/RNA across organisms, its scope expands continually. The field now constructs complex artificial networks. Computational biology, crucial for unraveling biological phenomena, still holds untapped potential for integrating modeling into synthetic design. Recent advances in computer-aided microbial community design suggest moving from single-organism approaches to modular models focusing on community functions, enhancing the design of artificial communities.

Chiral Drugs Unleashed: Origins, Configuration, Pharmacology & Future Directions

Source: Shou-jiao Peng et al., Chiral drugs: Sources, absolute configuration identification, pharmacological applications, and future research trends. https://lnkd.in/gNwsaz-h

Exploring the Discovery of Enzymes: A Journey into Their Evolution as Essential Chemical Tools" ♻️🌱

Though published in 2020, this compelling review article, "Looking Back: A Short History of the Discovery of Enzymes and How They Became Powerful Chemical Tools," is still highly relevant and insightful.

Enantioselective Synthesis of Sealutomicin C 💥🔬

The sealutomicins are anthraquinone antibiotics with an enediyne (sealutomicin A) or a Bergman-cyclized aromatic ring (sealutomicins B–D).

Unlocking the Design of FGFR4 Selective Inhibitors in Cancer Therapy – A Journey Through Prospects and Challenges! 💥🔬

FGFR4 has emerged as a crucial target in cancer treatment due to its role in various cancers such as hepatocellular carcinoma, rhabdomyosarcoma, breast cancer, and colorectal cancer. Developing FGFR4 selective inhibitors is essential for understanding its function and treating FGFR4-dependent diseases. However, the unique structures of FGFR1-4 pose significant challenges. The non-conserved Cys552 in FGFR4's hinge region is key to its selectivity. This review explores the link between FGFR4 and cancer, analyzing methodologies, binding mechanisms, kinase selectivity, pharmacokinetics, and clinical applications of FGFR4 selective inhibitors.

🌟Revolutionary Leap: Rational Molecular Editing in Drug Discovery !💥

Here is a groundbreaking editorial: "Rational Molecular Editing: A New Paradigm in Drug Discovery".

Unmasking an Isoxazole Scaffold as a Potent Antitubercular Warrior Against Mycobacterium tuberculosis FadD Enzymes! 💥🦠

FadD32, a key enzyme in mycobacterial mycolic acid synthesis, is a target for TB drug development. This study used the isoxazole scaffold to identify 2,4-dibromo-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (M1) as an inhibitor of MtbFadD32 and MtbFadD28. M1 regulated mycobacterial genes involved in cell wall synthesis, impairing Mtb survival. It also reduced Mtb burden in infected macrophages and mice. This research suggests M1 as a promising scaffold for TB treatment.

🚀 Transformative Breakthrough in Drug Development 🚀
Establishing a Pharmacoinformatics Repository of Approved Medicines: A Database to Support Drug Product Development

Excited to share the latest study: "Establishing a Pharmacoinformatics Repository of Approved Medicines: A Database to Support Drug Product Development". This innovative research harnesses advanced predictive modeling and a machine-readable drug product library, streamlining oral medicine development and revolutionizing drug-likeness evaluation, excipient selection, and prediction of oral absorption. 🌟💊

Synthesis, Characterization, and Control Strategies for Cabazitaxel-Related Substances at Scale

Cabazitaxel 1, an antineoplastic agent for hormone-refractory prostate cancer, was optimized, revealing six related substances via high-performance liquid chromatography. These substances were identified, prepared, and controlled through liquid chromatography–mass spectrometry and spectroscopic analyses (HRMS, IR, NMR). The structures were: an amino alcohol derivative (CRS-1), 7,10-dimethoxy-10-deacetylbaccatin III (CRS-2), an N-formyl-related substance (CRS-3), 7,10,13-trimethoxy-10-deacetylbaccatin III (CRS-4), a DiBOC-related substance (CRS-5), and a process-related intermediate (CRS-6). Detailed studies on their formation, synthesis, and control strategies were conducted.

Revolutionary Breakthrough: Crushing Therapy-Resistant Cancer Stem Cells with Novel Telmisartan Derivatives – Precision and Power Combined! 💥🧬

This study explores novel chemosensitizers targeting therapy-resistant cancer stem cells (CSCs). Using a derivative of telmisartan as a lead structure, the biphenyl moiety proved essential for chemosensitizing activity. Substituting the COOH-group with methyl carboxylate or carboxamide enhanced this effect, leading to potent, noncytotoxic compounds. These chemosensitizers effectively target CSCs by disrupting hyperactivated STAT5 signaling and drug transporter activity, showing efficacy in leukemia, ovarian, and prostate cancers. Telmisartan carboxamide (telmi-amide) significantly reduced tumor growth in an imatinib-resistant leukemia model, demonstrating promising oral bioavailability and tolerability. Thus, telmisartan derivatives offer an innovative strategy for targeting CSCs.

Explosive Innovation: Scalable Process Development of Ceritinib – Precision Meets Statistical Design of Experiments! 💥🧪

A cost-effective and safe process was developed for manufacturing ceritinib, focusing on quality by design. This approach identified critical quality attributes (CQAs), critical material attributes (CMAs), and critical process parameters (CPPs). The statistical design of experiments was used to explore relationships between these factors. The new process ensures safety, scalability, and enhanced throughput. It addresses challenges like sodium hydride hazards, high-temperature microwave conditions, high-pressure reduction using a palladium catalyst, and column chromatography for purification.

Revolutionizing Enantioseparation: Chiral Nanomaterials in Capillary Electrochromatography

A novel CEC enantioseparation system was developed using nanomaterials synthesized from chiral molecularly imprinted polymers (CMIPs) and chiral metal-organic frameworks (CMOFs).

Unleashing Sound Waves: Sonochemistry's Revolutionary Impact on Organic Chemistry! 🔊🧪

Sonochemistry, which uses ultrasonic sound waves to enhance chemical properties and reactivity, is a sustainable yet underutilized technique. Despite its impact on various applications, there's confusion about cavitational effects and the role of the acoustic field.

🌟 Flashback Alert! Dive into Chiralpedia's Archives 🌟
Asymmetric Synthesis in Industry: From Lab to Market ! 🚀

Rediscover the magic of "Asymmetric Synthesis in Industry: From Lab to Market"! This fourth installment in our five-part asymmetric synthesis series is a must-read for all chiral enthusiasts.

Explosive Breakthrough: Enantioselective Synthesis of (R)-Sitagliptin via Phase-Transfer Catalytic aza-Michael Addition! 💥🔬

Type 2 diabetes is a prevalent disease, and developing effective therapies is a key focus in drug discovery. Dipeptidyl peptidase IV (DPP-4) inhibitors, such as sitagliptin, elevate glucagon-like peptide-1 (GLP-1) levels to trigger insulin secretion and lower blood glucose. Approved by the FDA in 2006, sitagliptin has inspired many synthetic methods over the years. Approaches include chiral starting materials, auxiliaries, biocatalysis, organocatalysis, and transition-metal-based catalysis.

Recent Advances in Covalent Drug Discovery

Despite the rise in biologics license applications, covalent inhibitor development remains a growing field in drug discovery. Successful approvals of covalent protein kinase inhibitors like ibrutinib and dacomitinib, and recent discoveries for viral proteases such as boceprevir, mark significant milestones. Covalent bonds offer advantages in selectivity, resistance, and dosing. Electrophiles, key to covalent inhibitors, can be optimized through rational design. Increasingly, covalent inhibitors are used in PROTACs to target previously 'undruggable' proteins.

Powerful Phthalimides: Anti-Inflammatory Agents Unleashing Therapeutic Brilliance! 💥🩺

Isoindoline-1,3-dione, or phthalimide, is a promising pharmacophore due to its derivatives' notable bioactivity, especially as anticancer and anti-inflammatory agents. This review covers syntheses and anti-inflammatory studies of phthalimide derivatives. Traditional synthesis methods include reacting phthalic anhydride with amines/anilines and the Gabriel synthesis. Derivatives like thalidomide, pomalidomide, and lenalidomide have inspired the development of numerous new drug candidates with significant therapeutic potential, such as LASSBio 468 and several other promising adducts.

Unleashing Potential: Miniproteins in Drug Discovery – Small Structures, Big Impact! 🌟🔍

Though this review paper from 2022 might seem a bit dated, it’s absolutely worth revisiting.

Explosive Insights: Total Synthesis as Training for Medicinal Chemistry – Where Precision Meets Innovation! 💥💊

Amidst ongoing debates about the best training for modern medicinal chemistry, this 2022 perspective makes a compelling case for the enduring value of total synthesis.

Breaking New Ground: Pyridones in Drug Discovery – Recent Advances Spark Innovation and Transform Research! 🌟🔬

Continuing the journey through the world of heterocyclic scaffolds in drug discovery, I came across this compelling publication on pyridones. Although the article dates back to 2021, it remains a valuable read.

Explosive Breakthroughs: Recent Advances in Triazole Synthesis via Click Chemistry and Their Pharmacological Applications - Lighting the Path to Future Therapies! 💥🔬

Click chemistry, particularly the copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), is a powerful and biocompatible method for synthesizing 1,2,3-triazoles. These triazole molecules bind rapidly with biological targets, aiding drug development through in situ chemistry, combinatorial mechanisms, and bioconjugation.

Synthesis and Clinical Application of New Drugs Approved by NMPA in 2023

In 2023, the NMPA approved 82 new therapeutic agents: 48 chemical drugs, 22 biological drugs, 4 vaccines, and 8 traditional Chinese medicines, focusing on oncology, CNS disorders, anti-infectives, hematology, cardiovascular diseases, ophthalmology, and immunomodulation.

Nonlinear Effects in Asymmetric Catalysis by Design: Concept, Synthesis, and Applications

Asymmetric synthesis is essential for producing enantiomerically pure compounds, crucial for chiral drugs, supplements, flavors, fragrances, and novel materials. Typically, pure catalysts from the natural chiral pool are used. Atropisomeric systems are favored for their stability. Though flexible biphenyl systems initially seemed unsuitable due to racemization, new strategies enrich catalyst enantiomers stereoconvergently. This Account highlights the design of flexible catalysts that enhance enantioselectivity through supramolecular recognition and stereoconvergent alignment, paving the way for resource-efficient asymmetric syntheses and new applications in catalytic processes.

An insight into the pharmacology of cysteine/methionine containing peptide drugs

Peptides have gained prominence as potential drugs, with over 90 FDA approvals and more in the pipeline. Sulphur in peptides is present as thiol (from Cys) or thioether (from Met). This review covers FDA-approved sulphur-containing peptides since 2000, noting that ~50% feature disulphide bridges, highlighting their importance. Disulphide bonds can be synthetically formed using orthogonal protecting groups (PGs) compatible with Solid Phase Peptide Synthesis (SPPS). Included are details on FDA-approved drugs with Cys and Met, and the orthogonal PGs used in both academia and industry.

Biocatalytically Generated Library of Chiral Building Blocks Containing a Quaternary Stereocenter

This study outlines a biocatalytic method for synthesizing a library of compounds featuring a quaternary chiral center. Using halohydrin dehalogenases, four racemic 2,2-disubstituted epoxides were transformed with four nucleophiles to yield 14 chiral products, achieving yields of 21–47% and enantiomeric excesses of 74 to >99%. The resulting building blocks, which possess various functional groups, can be further modified to produce valuable organic molecules for applications in medicinal chemistry and other fields.

Isoflavone Derivatives as Potential Anticancer Agents: Synthesis and Bioactivity Studies 🌟💊

by Mamoalosi A. Selepe https://lnkd.in/gr9PsNYY

Planar Chirality: The Goldmine of Catalysis and Structural Discovery, Shining Like a Beacon in the Field! 💎🔬

Planar chirality, a fascinating expression of chirality, is utilized by nature and chemists for creating chiral reagents, catalysts, and functional materials. However, the lack of methods to induce and secure asymmetry has limited its use. This Minireview highlights the limited but notable catalytic methods for producing planar chirality in strained molecules and aims to inspire new unconventional procedures.

Lone Pair−π Interactions in Organic Reactions

Lone pair−π interactions, categorized by π system type, play crucial roles in reaction outcomes yet are often underappreciated. This review highlights their integration into catalytic system design and their impact on reactivity and selectivity. It covers experimental and computational studies, demonstrating their role in stabilizing or destabilizing transition states and ground-state binding. Unlike previous reviews, it focuses on how these interactions influence reaction kinetics and selectivity

Oxetane-, Azetidine- and Bicyclopentane-Bearing N-Heterocycles from Ynones: Scaffold Diversification via Ruthenium-Catalyzed Oxidative Alkynylation

Continuing my exploration of oxetanes and azetidines in medicinal chemistry, I came across this fascinating paper: "Oxetane-, Azetidine- and Bicyclopentane-Bearing N-Heterocycles from Ynones: Scaffold Diversification via Ruthenium-Catalyzed Oxidative Alkynylation. This groundbreaking study showcases three-fold scaffold diversification through ruthenium-catalyzed oxidative alkynylation, transforming primary alcohols into α,β-acetylenic ketones (ynones), leading to oxetane-, azetidine-, and bicyclopentane-bearing pyrazoles, isoxazoles, and pyrimidines.

Rhodium(II)-Catalyzed Denitrogenative Transformations of N-Sulfonyl-1,2,3-Triazoles" 💥🔬

This review highlights the role of N-sulfonyl-1,2,3-triazoles in synthetic chemistry, focusing on their use in annulations, X−H bond insertions, and functionalizations under rhodium catalysis. It discusses the formation of α-imino rhodium carbene intermediates from their reaction with Rh(II) complexes and covers the Rh-catalyzed transformations of N-sulfonyl-1,2,3-triazoles since 2014.

Unlocking Health: The Power of Heterocyclic Pyrimidine Scaffolds in Therapeutics! 💊🔬

Continuing my exploration of heterocyclic scaffolds, I discovered an intriguing review paper on heterocyclic pyrimidines. As a fundamental component of DNA, this nucleus exhibits diverse biological activities. The review outlines the therapeutic potentials of pyrimidine scaffolds, underscoring their value in modern medical applications. It highlights significant breakthroughs shaping the future of drug design and development. This comprehensive exploration is essential reading.

Zn(II)-Curcumin Complexes: Harnessing Nature’s Power for Cancer Therapy! 🌿🧪

This review highlights the synthesis, structure, and anticancer properties of Zn(II)-curcumin-based coordination complexes. The low solubility and bioavailability issues of Pt(II)-derivatives are addressed by designing bio-active ligands, such as curcumin. Conjugating these ligands improves bioavailability and cancer cell targeting. Various functional groups, targeting ligands, and photo-active ligands enhance the anticancer potential of these complexes. The current status and future perspectives on curcumin-based metallodrugs for cancer treatment are also discussed.

Structural Chemistry of C–N Axially Chiral Compounds

This Perspective is to highlight the significance of C–N axially chiral compounds (atropisomers) in both synthetic and structural chemistry. These compounds, characterized by rotational restriction around a C–N single bond, have gained considerable interest in recent years. While many studies have focused on the enantioselective synthesis and applications of these compounds, their structural properties have received less attention.

Transforming Medicine: Covalent Drugs Forge a New Path in Targeted Drug Development! 💊🔬

# Historical overview traces covalent drugs since the 20th century, highlighting safety concerns.
# Targeted Covalent Inhibition (TCI) concept revives interest in covalent drug discovery.
# Covalent inhibitors categorized by target proteins (e.g., EGFR, BTK) show versatility in treating various diseases.
# Two-step inhibition process by targeted covalent inhibitors enhances specificity through selective protein silencing.
# Promising future for covalent drugs balanced by known drawbacks; ongoing research into new protein targets remains crucial.

Chiral Switches of Tramadol Hydrochloride: Tracing the Path of Innovation Towards Future Psychedelic Treatments! 🌟💊

In the midst of the tramadol crisis, exploring new perspectives and innovative solutions is crucial. Historically, tramadol has seen several chiral switches to enhance its pharmacological profile and efficacy. This perspective dives into the importance of developing (+)-cis-(1R,2R)-tramadol medicines and their potential as psychedelics. These advancements promise to tackle the crisis and lead to safer, more effective treatments.

🌟Electro-Organic Synthesis Breakthrough: Shaping the Future of Drug Discovery! 🌟

Electro-organic chemistry offers exciting possibilities for drug discovery and early development, promoting green chemistry principles. However, it remains underutilized in synthesis and manufacturing. This overview highlights key research areas to improve accessibility: expanding reaction scope, simplifying scale-up, developing electrode materials, and enhancing knowledge transfer. Integrating electro-organic synthesis could lead to efficient, sustainable drug development processes.

Unleashing Potential: Oxazolidinones - The Future of Versatile Scaffolds in Medicinal Chemistry! 🔬💊

Continuing my exploration of heterocyclic scaffolds, I encountered a compelling review paper that delves into the intricate world of oxazolidinone-based heterocyclic scaffolds. This versatile five-member ring reveals significant applications across medicinal chemistry, from antibacterial to anticancer therapies. The paper uncovers pivotal breakthroughs that are shaping the future of drug design and development. This comprehensive exploration is not to be missed.

Recent advances, challenges and perspectives in enantioselective release

Chiral drugs are essential in both academic research and the pharmaceutical industry due to the distinct biological effects of their enantiomers. Despite this, many chiral drugs are still marketed as racemates.

AI-Driven Retrosynthesis: Charting New Paths with Transformers and Hyper-Graph Strategies!

An extension of the Molecular Transformer model, combined with a hyper-graph exploration strategy, was developed for automated retrosynthesis planning. This single-step model excels in predicting reactants, reagents, solvents, and catalysts. Four new metrics (coverage, class diversity, round-trip accuracy, and Jensen–Shannon divergence) were introduced to evaluate the models. The hypergraph is dynamically constructed and expanded based on Bayesian probability. The end-to-end framework, tested with various examples, showed excellent performance with some limitations due to training data. These metrics offer a way to optimize retrosynthetic frameworks by focusing on single-step model performance.

Breaking New Ground: N-Heterocyclic Carbenes Revolutionize Carbo- and Heterocyclic Frameworks for Biological Activity! 🚀🔬

This article reviews the role of N-heterocyclic carbenes (NHCs) as organocatalysts in constructing medicinally and biologically significant molecules through cycloaddition reactions. It provides a comprehensive overview of NHCs in synthesizing twelve types of bioactive cyclic skeletons, discussing their chemistry, limitations, challenges, and future prospects.

Eco-Friendly Innovation: Drum Mill Mastery for Large-Scale rac-Ibuprofen:Nicotinamide Co-Crystal Synthesis 🌿🔬

In pharmaceutical R&D, co-crystallization is a key strategy to enhance the properties of active ingredients. This eco-friendly, efficient mechanochemical process for kilogram-scale co-crystal production using a drum mill exemplifies this. Using rac-ibuprofen:nicotinamide as a representative, the study showcases the potential of industrial milling equipment for large-scale pharmaceutical co-crystal synthesis. The process, completed in 90 minutes with 99% pure co-crystals and minimal metal contamination, underscores the promise of greener, sustainable drug manufacturing practices.

Ansa-Ferrocene Derivatives: Harnessing Unique Chemistry for Therapeutic Potential 🌟🔬

Since the 1990s, introducing a ferrocenyl-type substituent into biologically active compounds has been known to improve their properties. Recent studies show that a carbon bridge between the cyclopentadienyl rings in ferrocene derivatives (ansa-ferrocenes) further enhances these properties. However, the synthesis of ansa-ferrocenes is challenging due to advanced protocols and planar chirality. Consequently, research on hybrids, conjugates, and other ansa-ferrocene derivatives is limited. This review covers the potential biological properties of these units from 1980 to 2024.

Veliparib: Analytical Tools and Process Design Strategies for the Control of Mutagenic Impurities and Other Drug Substance Critical Quality Attributes

(R)-Veliparib (ABT-888) is a PARP inhibitor under investigation for treating various cancers, including BRCA1/2-mutated breast cancer. The synthesis involves three stages with two regulatory starting materials and intermediates. A robust control strategy using analytical tools and a tailored manufacturing process ensures the drug substance meets all critical quality attributes.

Navigating the Lab: Your Ultimate Survival Guide for the First Week in Medicinal Chemistry! 🧪💡

Entering the world of medicinal chemistry from an organic chemistry background is a common journey. This Perspective offers actionable advice for young organic chemists transitioning smoothly into medicinal chemistry, a field intertwined with pharmacology and biology. While the path can be daunting, understanding key concepts is crucial. Dive into this read to explore practical tips and deepen your knowledge, paving the way to becoming an adept medicinal chemist.

Cracking the Code: A Fun Guide to Planar Chirality for Students!

Chirality remains a topic of great scientific interest due to its implications across various fields, particularly in medicine with the importance of chiral drugs and asymmetric synthesis. However, teaching chirality to students is challenging due to its conceptual nature and the need for 3-dimensional visualization. Among different types of chirality, planar chirality is particularly difficult to grasp.

Revolutionizing Alzheimer's Treatment: Breakthroughs and Innovations

Alzheimer’s disease (AD) is the most common chronic neurodegenerative illness, leading to cognitive impairment and behavioral abnormalities with significant financial and psychological impacts on patients' families. This review explores various pathophysiological mechanisms of AD, emphasizing the need for disease-modifying therapeutics (DMTs) that alter disease progression. It highlights current clinical trials and FDA-approved DMTs, focusing on improving patient outcomes by slowing cognitive decline and enhancing neuroprotection.

Harnessing Computational Methods in Asymmetric Synthesis: Where Algorithms and Asymmetry Converge! 🤖🔬

Thrilled to revisit our blog post on "Harnessing Computational Methods in Asymmetric Synthesis," originally created for Chiralpedia! This is the third installment in our five-part series on asymmetric synthesis.

Forging New Frontiers: Navigating Mycobacterial Oxidative Phosphorylation Inhibitors with Molecular Modeling Mastery! 🌟🧬

Mycobacteria are intracellular pathogens that manipulate immune cells and resist antimicrobials, evolving into superbugs like XDR TB. This review discusses the mechanisms of antimycobacterial strategies, exploiting differences in oxidative phosphorylation pathways for drug discovery. It also highlights the challenges posed by respiratory complex polymorphisms and explores in silico strategies for designing novel therapeutics. The potential for targeting mycobacterial respiratory elements and future research directions are also reviewed.

Fused Thienopyridines: Pioneering Synthesis and Groundbreaking Therapeutic Applications! 🌟🔬

Fused thienopyridines, with their unique structural features and versatile chemical properties, have garnered significant attention. This review examines the latest synthetic methodologies for preparing these derivatives, highlighting innovative approaches and structural diversity. It also covers the broad therapeutic applications, pharmacological activities, and biological properties of fused thienopyridines, emphasizing their role in drug discovery and development. This comprehensive overview serves as a valuable resource for researchers and practitioners in medicinal chemistry.

Revolutionizing Malaria Treatment: Discover MalariaFlow's Deep Learning Breakthroughs! 🦟💡

# An antimalarial dataset with 410,654 records across 10 Plasmodium
phenotypes and 3 human life cycle stages.

# FP-GNN algorithm achieves superior predictive performance,
outperforming classical methods.

# DL models outperform ML and graph-based models by integrating
chemical knowledge into graphs.

# FP-GNN captures key structural features for multi-stage activities.
# A web server is developed for antimalarial activity prediction, virtual
screening, and similarity search.

Molecular Shape and Medicinal Chemistry: A Perspective 🌐 - Shape Matters Like the Tune in a Symphony! 🎵💊

Drawing inspiration from Marcus Aurelius' timeless musings in "Meditations," this 2010 Perspective delves deep into the essence of molecules within medicinal chemistry. It captures the evolution of molecular descriptions and emphasizes the pivotal role of molecular shape in drug discovery. 🧬 While progress has been made in understanding properties like aromaticity and hydrophobicity, true advancement hinges on grasping the three-dimensional form. This work eloquently underscores the significance of molecular shape in predicting behavior, continuing to shape drug development... 💊

Recent Advancement on Ring Expansion of Bicyclic Diaziridines to Access N-Heterocyclic Compounds 🌟🔬

This article discusses the role of bicyclic diaziridines as crucial heterocyclic scaffolds, highlighting their use in constructing biologically important N-hetero- and spiro-cyclic frameworks. The focus is on recent advancements in ring expansion reactions, mechanistic insights, and the diverse reactivity of bicyclic diaziridines in synthesizing N-heterocycles.

Semisynthesis: Bridging Natural Products and Novel Anticancer Therapies - Blending Nature's Masterpieces with Cutting-Edge Innovation! 🌿🧪

This review highlights the significant role of natural products (NPs) in drug discovery, particularly for oncology and infectious diseases, while addressing challenges like toxicity, pharmacokinetics, supply issues, and drug resistance. It emphasizes how semisynthetic derivatives of NPs have overcome these hurdles, retaining medicinal activity and improving characteristics such as toxicity and bioavailability.

A General Protocol for the Aqueous Morita-Baylis-Hillman Reaction between Cyclic Enones and 1,2-Dicarbonyl Compounds

This report details the aqueous Morita-Baylis-Hillman (MBH) reaction of cycloenones with di- and tricarbonyl compounds, using a bicyclic imidazolyl alcohol (BIA) as catalyst. The methodology achieved up to 98% yield and demonstrated the synthetic applicability by preparing an acenaphtho[1,2-b]indole derivative. The study highlights a general approach to the MBH reaction with various compounds in an aqueous medium at room temperature.

Crafting Chiral Aziridines: Pioneering Synthetic Approaches Unleashed! 💥🔬

This review highlights the significance of optically active aziridines as crucial structural frameworks in biologically and pharmacologically relevant natural products. It summarizes recent methods for assembling these rigid three-membered nitrogen-heterocycles and explores their applications in the agrochemical and pharmaceutical industries.

Homobarrelenones: Crafting Novel and Diverse Scaffolds! 🛠️🔬

The derivatization of tropolone-based homobarrelenones via simple transformations, such as catalytic hydrogenations, base-catalyzed solvolysis, and hydride reductions is described. Despite their structural complexity and high functionality, the novel compounds exhibited no significant cytotoxicity in sperm motility assays, highlighting the role of Michael acceptor moieties in their biological activity.

Lighting the Way: Recent Developments in Photochemical Reactions of N-Heterocyclic Compounds! 🌟🔬

This paper reviews the advancements in photo-redox catalysis from 2019 to 2024, highlighting its environmentally friendly nature and the use of abundant resources. It covers organic transformations facilitated by both metallic and non-metallic photocatalysts, as well as transformations achieved without photocatalysts.

Benzoisoxazoles as Privileged Scaffolds in the Design and Synthesis of N-containing Molecules: A Recent Update

This review explores the distinctive properties of benzoisoxazoles, which, with their 10-π-electron system and significant polarity, readily trigger N−O bond cleavage. This characteristic enables their multifaceted applications in organic synthesis. The review highlights recent advances in transforming 2,1- and 1,2-benzoisoxazoles, focusing on key reactions, mechanisms, and the similarities between these nitroxy heterocycles. It also discusses the scope, catalyst-controlled chemodivergence, current limitations, and future prospects in this field.

Synthesis of N-Bromo and N-Iodo Imides: A Rapid Redox-Neutral and Bench Stable Process

This report outlines a swift and environmentally friendly method for creating common N-bromo and N-iodinating reagents through the reaction of accessible N-chloro derivatives with bromide and iodide salts. The reagents are easily handled, commercially available, and stable at room temperature. This approach demonstrates the efficient production of these halogenating reagents on a multigram scale with high yield and purity, utilizing a straightforward recrystallization process. The mechanistic insights indicate an in situ generation of an interhalogen species.

Photocatalytic decarboxylation of free carboxylic acids and their functionalization

https://lnkd.in/gj22WV3X https://lnkd.in/gyNXGF_b

🌟 The Quinine Odyssey: A Barometer of the State of Organic Synthesis Over Centuries! 🌟

In 2024, we mark the 80th anniversary of Woodward and Doering's landmark synthesis of (±)-quinine, a millennium old chiral molecule.

Synthetic Benzylic Diselenides and Disulfides: Potential Anticancer Activities via Modulation of the ROS-Dependent Akt/β-Catenin Signaling Pathway

https://lnkd.in/e4BWciJd

Breaking Boundaries: The Future of Ruthenium-Based Anticancer Therapies! 💥💊

The evolution of chemotherapy has transformed cancer treatment, particularly with the advent of metal-based drugs. Metal compounds like platinum, ruthenium, and gold offer unique mechanisms distinct from organic therapeutics. Ruthenium complexes, such as BOLD-100 and TLD1433, show promise due to their selective activity, lower resistance, and ability to target specific cellular pathways.

Chromatographic Determination of Permeability-Relevant Lipophilicity Facilitates Rapid Analysis of Macrocyclic Peptide Scaffolds

Source: https://lnkd.in/gS5tAe-i

Revolutionizing Drug Discovery: Unveiling Privileged Warheads for Covalent Kinase Inhibitors! 🔬✨

Covalent kinase inhibitors (CKIs) have gained prominence in cancer therapy for their enhanced selectivity and strong affinity, with eight FDA-approved drugs. This review examines the latest CKI developments, focusing on nucleophilic amino acids, electrophilic warheads, and privileged warheads for repurposing. It also discusses CKI trends across the proteome.

The role of the methoxy group in approved drugs 💊

The methoxy group, common in natural products and widely used in drug design, enhances ligand–target binding, physicochemical properties, and ADME parameters. This article reviews over 230 methoxy-containing drugs, exploring their biochemical mechanisms, SAR studies, and X-ray cocrystal structures. It highlights the unique and valuable effects of the methoxy group, often greater than the sum of its parts.

Diving Deep: The Power of Indole-Based Heterocycles in Medicinal Chemistry! 🔬🌟

Continuing the journey from "Mastering Indole Synthesis: Cutting-Edge Recipes for Ubiquitous Heterocycles," this review paper delves deeper into the fascinating world of Indole-based heterocyclic scaffolds. Explore the latest insights and breakthroughs in medicinal chemistry that are shaping the future of drug design and discovery. Don't miss out on this comprehensive exploration!

Chromenopyridine: Unlocking New Horizons in Drug Design

The chromenopyridine scaffold is a significant class of heterocyclic compounds with diverse biological properties.

🌟Mastering Retrosynthesis: The Power of Gap-Fill Exercises! 🌟

A series of distinctive gap-fill activities were designed to enhance students' knowledge in retrosynthetic analysis. These exercises enable students to practice and test their understanding by working through authentic multistep syntheses of various organic target molecules. Students identified appropriate RSA terminology, selected suitable reagents, and answered questions on reaction selectivity and mechanisms.

Revolutionizing Chiral Analysis: NMR Method for Organoboron Compounds

This study develops an NMR spectroscopy method for chiral analysis of organoboron compounds, eliminating the need for derivatization and pretreatment. Utilizing tridentate ligands and fluorine labels with a chiral cationic cobalt complex as the solvating agent, it allows precise 19F NMR signal discrimination.

Unlocking Nature's Secrets: Cyclohexane-1,3-dione Derivatives as Powerhouse Precursors for Total Synthesis! 🌿🔬

Natural product synthesis is challenging due to limited starting materials. Cyclohexane-1,3-dione derivatives, being inexpensive and versatile, have significantly advanced this field.

Unlocking Chirality: Asymmetric Tsuji-Wacker Oxidation Paves the Way for Enantioselective Diarylmethanes! 🔬✨

Oligoarylmethanes are pivotal structural motifs in fields like functional materials, agrochemicals, and pharmaceuticals. Enantiomerically enriched diarylmethanes, a centerpiece of methodological research due to their prospects in the modular design of nonplanar, chiral drug molecules, face synthetic challenges with isosteric arenes. This study introduces a generalized enantioselective synthesis of chiral diarylmethanes via asymmetric migratory Tsuji-Wacker oxidation, achieving high enantioselectivity and promising applications, such as in antihistaminic neobenodine synthesis.

Recent Drug Design Strategies: Unveiling Key Heterocyclic Scaffolds for Promising Anticancer Targets

Cancer remains the leading cause of mortality worldwide, projected to rise by 75% in the next two decades. Traditional treatments have had limited success, shifting the focus to novel small molecule antitumor agents. Heterocyclic compounds show promise by targeting specific residues in proteins.

Mastering Indole Synthesis: Cutting-Edge Recipes for Ubiquitous Heterocycles! 🔬🌟

Indoles, crucial heteroaromatics in organic chemistry, are prevalent in biologically active natural products. They have diverse applications in medicine, synthetic and coordination chemistry, and industry. This review highlights recent advanced catalytic methods for synthesizing indoles, offering a comprehensive assessment of both conventional and novel techniques.

Glucose-based Ionic Liquid Organocatalysts for Asymmetric aza-Diels-Alder Reactions

by Mirai Komabayashi and Dr. Stefan Jopp
Source: https://lnkd.in/gs2vr-37; https://lnkd.in/gZz6F3W7

Chiral Chemistry

I'm pleased to inform that I've been invited to share my thoughts and interact with the PG and Research Department of PSGR Krishnammal College for Women on "Chiral Chemistry". Looking forward to an enriching and insightful session! 🌟🔬

Breaking Ground in Antiviral Research: Novel Nitrogen-Containing Heterocyclic Compounds Unveiled!

N-heterocycles are significant due to their chemical, biological, and technical importance. They are crucial in biological research, including anticancer, antiinflammatory, antibacterial, antiviral, and antidiabetic studies. This review focuses on 5- or 6-ring N-heterocyclic compounds with antiviral activity from the last 5 years and their structure-activity relationships. It will benefit researchers in organic synthesis, medicinal chemistry, and pharmacology.

Revolutionizing Drug Discovery: Harnessing Structure and Dynamics! 🧬💊✨

Computing has revolutionized structure-based drug discovery, transitioning from early enzyme-inhibitor studies to advanced molecular dynamics and machine learning.

Mastering Quality: Analytical and Process Strategies in Veliparib Development

(R)-Veliparib (ABT-888) is a PARP inhibitor being explored for treating various cancers, including BRCA1/2-mutated breast cancer. The development process involves three stages using specific starting materials and intermediates.

Bioisosteric Heterocyclic Analogues of Natural Bioactive Flavonoids: Scaffold-Hopping Advances in Medicinal Chemistry

Flavonoids are bioactive molecules with therapeutic potential, yet their chemical instability hinders effectiveness. Scaffold-hopping is proposed to optimize these structures.

Symmetry Breaking in Inorganic Nanostructures: Chirality vs. Optical Activity or Structural vs. Electronic Effects

by Gil Markovich. https://lnkd.in/ghMAZ6Hc;

🌟Exciting Throwback!🌟
Recent Advances in Catalytic Asymmetric Synthesis

Thrilled to share our blog on "Recent Advances in Catalytic Asymmetric Synthesis," originally crafted for Chiralpedia! This is the second installment in our five-part series on asymmetric synthesis. Perfect time for a refreshing revisit with your Sunday morning coffee, chiral enthusiasts - Enjoy this enlightening Sunday treat ... !!! ☕🍵

Thioamides in Focus: Pioneering Innovation in Drug Design and Development

Delving into the evolving field of drug design, the structural modification of lead compounds is crucial for enhancing potency, selectivity, and safety. Among various functional groups, thioamides stand out for their unique properties and versatile roles in medicinal chemistry. This editorial explores the multifaceted applications of thioamide groups, from prodrug strategies to hydrogen sulfide donation and metal chelation.

Cutting-Edge Breakthroughs in Radical-Mediated Asymmetric Synthesis: A Fresh Look at Organocatalysis!

Radical-mediated organic synthesis has become a powerful method for forming carbon-carbon and carbon-heteroatom bonds, known for its compatibility with various functional groups and high chemoselectivity. The integration of radical transformations with asymmetric organocatalysis offers unique access to enantio-enriched molecules, though it faces challenges due to reactive intermediates. Recent advancements in chemical, photochemical, and electrochemical methods have led to sophisticated strategies. This review explores the mechanistic insights, synthetic applications, and progress in this field from 2018 to 2023.

Surface Molecularly Imprinted Biomimetic Magnetic Nanoparticles for Enantioseparation

A cost-effective, robust biomimetic magnetic nanomaterial for the separation of chiral drug molecules has been demonstrated. Using surface molecular imprinting, (S)-naproxen was imprinted on silica-coated iron oxide nanoparticles. The material showed high selectivity, binding capacity, and reusability, isolating (S)-naproxen effectively from its racemic mixture. This method offers a viable alternative to traditional chiral column separation techniques, with significant cost efficiency.

Recent Highlights in Micellar Catalysis: An Industrial Outlook

Contemporary synthetic organic chemistry must evolve for sustainability, as highlighted by matrices like atom economy and E-factor, revealing the inefficiencies of conventional methods and the impact of organic solvents. The use of water as a primary medium, driven by micellar catalysis, offers a greener alternative. Post-2010, this approach has significantly advanced, reducing reliance on hazardous solvents.

🚀 Unveiling the Future: Cutting-Edge Chiral Inorganic Nanomaterials for Enantioselective Catalysis! 🧪✨

Asymmetric transformations and synthesis are crucial in numerous industries due to the demand for chiral organic compounds. Chiral inorganic catalysts have significantly advanced, becoming a highly innovative research area.

Revolutionizing Medicinal Chemistry: Unleashing Photoredox Catalysis for Aliphatic Core Mastery

C(sp³)-rich aliphatic motifs in drug molecules are linked to clinical success. Historically, limited compound libraries with C(sp³)-rich cores existed due to challenges in functionalizing aliphatic rings. Most small molecule libraries focused on aromatic rings. This study presents a general approach for synthesizing diversified libraries with aliphatic core rings using mild photoredox catalysis.

🌟 Discover the Power of Collaborative Innovation 🌟
Empowered Asymmetric Additions: Organo-Metal Catalysts, and NADES

Embark on an inspiring journey of nearly two decades where academic brilliance meets industrial ingenuity. This perspective highlights the pioneering efforts between a small research group and a dynamic spin-out company in Portugal. Together, they've achieved groundbreaking advancements in metal-based catalytic systems and cinchona-based organocatalysts. Now, their exciting focus on chiral Natural Deep Eutectic Solvent systems promises to revolutionize synthetic chemistry.

🌱Revolutionary Bioinspired Polymers: Efficiently Capturing and Releasing Heavy Metals ☘️

Water scarcity and heavy metal pollution are pressing issues in today's industrialized world. Conventional remediation methods are often inefficient and produce chemical sludge.

CZL-046: A Breakthrough p300 Bromodomain Inhibitor for Multiple Myeloma

Discovery of a series of novel inhibitors with an (S)-3-fluoropyrrolidin-2-one scaffold, targeting the p300 bromodomain, a promising therapeutic target for cancer treatment is presented.

Metronidazole-conjugates: A comprehensive review of recent developments towards synthesis and medicinal perspective

# Nitroimidazole, particularly metronidazole, is a clinical candidate for treating various infectious diseases.
# Metronidazole-conjugates tested across multiple disease areas to optimize potential leads with high efficacy.
# Review summarizes synthetic details, SAR, molecular docking, and medicinal perspectives of metronidazole-conjugates.
# Provides handy literature to stimulate further research in synthesizing potential leads against human diseases.

Applications of Antimony in Catalysis

Antimony, a fifth-period element in the nitrogen family, is a silver-white metalloid with weak conductivity and thermal conductivity. It is stable at room temperature, not reacting easily with oxygen and water. Mainly found in sulfides, its current applications focus on material modification in chemical industries, enhancing flame retardancy, stability, and semiconductor performance. Notably, embedding antimony in photonic nanomaterials boosts photoelectrochemical catalysis efficiency for organic matter degradation in wastewater. Less studied are its catalytic reactions with organic compounds.

🌟TRANSFORMING MEDICINAL CHEMISTRY: THE POWER OF SPIROCYCLIC SCAFFOLDS🪞

Spirocyclic scaffolds, present in various drugs, have garnered interest for their less planar structures. This Perspective reviews synthetic methods to create spirocyclic systems and discusses their impact on potency, selectivity, and stereochemistry. It also examines changes in physicochemical properties and ADME profiles compared to non-spirocyclic compounds. The value of spirocyclic scaffolds in medicinal chemistry is highlighted.

N-Doped Octagon-Containing HBC as Redox and pH Chiroptical Switch in the NIR

Source: https://lnkd.in/gcgPGtPK; https://lnkd.in/gRhTQq58

🔍 Exploring the Nuances of pKa Values in Zwitterionic Compounds

The acid dissociation constant (pKa) plays a vital role in fields such as drug design, environmental studies, and chemical manufacturing. However, inconsistent terminology for acid-base phenomena can lead to misinterpretations. Our recent work uncovers the confusion in defining “acidic” and “basic” pKa values for zwitterionic compounds, leading to errors in trusted databases like ChEMBL. These inaccuracies can impact pKa prediction models and downstream applications. We highlight the issue and propose better practices for describing acid-base phenomena and stewarding pKa datasets.

Synthesizing Remdesivir: Scalable Cyanation with Continuous Flow Chemistry

Scaling up cyanation chemistry in batch processes is tricky due to hazardous reagents and the need for tight reaction controls, including cryogenic temperatures, to achieve good selectivity and conversion.

METABOLIC ENGINEERING: UNLOCKING PURE (-)-SPARTEINE IN NARROW-LEAFED LUPIN!

(-)-Sparteine, vital for chiral synthesis in pharmaceuticals, has faced supply issues over the past decade. Now, non-GMO lupin plants produce large amounts of enantiomerically pure (-)-sparteine, enabling its large-scale agricultural production.

Phosphorus Heterocycles and Their Biological Applications

This review highlights the unique biological and medicinal significance of phosphorus heterocycles, which combine the benefits of phosphorus atoms and heterocyclic structures. It covers key literature, classifications, and medicinal uses over the past two decades, inspiring medicinal chemists to develop new heterocyclic scaffolds with phosphorus. Phosphorus is crucial in various biological processes and many clinically used drugs. The review focuses on different classes of bioactive phosphorus-containing heterocycles with therapeutic and material chemistry applications since 2000, excluding synthetic routes.

Innovative Pyrazole Constructs: Antibacterial and Antifungal Powerhouses

The rise of antimicrobial resistance (AMR) calls for novel therapeutic agents targeting resistant strains. Pyrazole, a versatile scaffold in antimicrobial drugs, has been extensively studied between 2016 and 2024.

Innovations in Click and Computational Chemistry: Shaping the Future of Drug Discovery

Drug discovery is a costly and time-consuming process with a high failure rate. Recent advances in click chemistry and computer-aided drug design (CADD) pave the way for new drug development.

Fsp3: The Gold Standard in Drug-Likeness - Escaping from Flatland

Excited to highlight "Fsp3: A new parameter for drug-likeness" published in 2020. Dive into how Fsp3 and enhanced 3D structures revolutionize medicinal chemistry, predicting molecular properties and aiding in drug discovery. Spirocycles are ready to take center stage in sp3-rich scaffolds.

Better Together: Catalyzing Innovation in Organic Synthesis via Academic-Industrial Consortia

Drawing inspiration from JFK's legendary 1962 moon mission challenge, this Organic Letters article spotlights the transformative impact of academic-industrial collaborations. These partnerships drive synthetic chemistry beyond conventional limits, exemplifying innovation and collective progress. Explore the latest breakthroughs and consider engaging with or pioneering new consortia for remarkable scientific advancements.

Revolutionary Catalysts: Unveiling the Power of Chiral Bicyclic Imidazoles in Modern Synthesis

Asymmetric organocatalysis is a key strategy for stereoselective preparation of optically active chemicals. Chiral tertiary amines as Lewis base organocatalysts have advanced various chemical transformations but face challenges in structural complexity and cost. To enhance activity and selectivity, new bicyclic imidazole catalysts were designed.

Biannual Account of Anti-malarial Agents reported in 2021 and 2022: A Comprehensive Coverage

Malaria, caused by Plasmodium parasites, continues to severely impact impoverished populations, with 247 million cases and around 619,000 fatalities globally, as reported by the WHO. Drug resistance in tropical and subtropical regions worsens the issue.

Magnetic Mastery: Harnessing Magnetism for Precise Enantioseparation!

This study reports the enantiospecific crystallization of amino acids asparagine (Asn), glutamic acid hydrochloride (Glu·HCl), and threonine (Thr) using ferromagnetic (FM) substrates. Prepared by evaporating nickel and gold layers on silicon wafers, the FM substrates were positioned with either North or South poles up. This arrangement induced asymmetric crystallization of pure enantiomers, separating L and D forms at opposite poles. The same effect was observed in racemic mixtures of Asn and Glu·HCl, but not in Thr, which crystallized as conglomerates. The results highlight the role of aligned spins within FM substrates in enantioselective crystallization, offering a new method for resolving enantiomers and insights into the origin of chirality in nature.

"Revolutionizing Green Chemistry: Advancements in Electrochemical Synthesis of Heterocycles!

Heterocyclic chemistry is pivotal in biological research and pharmaceutical development. This paper highlights recent eco-friendly advancements in synthesizing N-, S-, and O-heterocycles. Using catalytic quantities of substances and renewable electricity offers efficient, green alternatives to traditional methods. Metal catalysts in electrochemical activation enhance selectivity and reduce undesirable side reactions, expanding the practical potential of these reactions.

New Vision for TCM Quality Control: Elemental Fingerprints and Key Ingredient Integration for Identification and Evaluation

Ensuring the quality of Traditional Chinese Medicine (TCM) is essential for its efficacy and safety. Traditional methods fall short in fully capturing its essence.

Oxygen, Nitrogen & Sulfur Heterocycles: Cutting-Edge De Novo Synthesis and Future Prospects

Oxygen-, nitrogen-, and sulfur-containing heterocycles are vital due to their biological and pharmaceutical activities. The de novo synthesis of these heterocycles has garnered significant interest. This Perspective highlights recent advancements, organized by heterocycle type, ring size, number of heteroatoms, and fused structures. Key synthetic methods, applications, and reaction mechanisms are discussed to guide researchers in this field.

Delighted to share our blog on "Understanding the Fundamentals of Asymmetric Synthesis" authored for Chiralpedia, sometime back. Time for a spicy revisit, chiral enthusiasts – enjoy this Sunday treat!

Harnessing KRED: Scaling Up Enantiomerically Pure 3,4-Disubstituted Tetrahydrofuran

A scalable, eco-friendly synthesis of (3S,4S)-4-methyltetrahydrofuran-3-ol was achieved through a one-step biocatalytic reduction of a racemic ketone. This process, using keto reductase, operates under mild conditions with high enantio- and diastereoselectivity. The new route significantly improved key performance indicators, including PMI, solvent, and waste.

🌱 Leading the Green Chemistry Revolution in Pharma 🌱

Since 2005, the ACS Green Chemistry Institute (GCI) Pharmaceutical Roundtable (PR) has been a driving force in integrating green chemistry and engineering into the pharmaceutical industry. Our mission is clear: to catalyze sustainable practices across the global chemistry enterprise.

Role of Artificial Intelligence in Revolutionizing Drug Discovery

AI and machine learning have significantly advanced drug discovery by narrowing the gap between disease understanding and the identification of therapeutic agents.

Click” post-synthesis of chiral microporous organic network for chiral high-performance liquid chromatographic separation

by Han Li et al.
https://lnkd.in/gau8pq5x https://lnkd.in/g2_pwpVx

Divergent Synthesis of Chiroptical Molecular Switches Based on 1,2-Diaxial Atropisomers

A practical artificial dynamic system based on a 1,2-diaxial atropisomer is presented for chiroptical molecular switches.

Chiral Switches: Still Alive and Kicking!

This perspective thoughtfully reexamines the enduring significance of classical chiral switches in pharmaceutical development. In contrast to a recent perspective, it delves into underexplored regulatory insights and emphasizes the synergistic effects observed in racemic drugs, exemplified by nebivolol. This nuanced perspective on chiral switches is an engaging and thought-provoking read.

Mastering PROTACs Bioavailability: Seamless Integration of Experimentation and Prediction?

The drug development landscape is evolving to include new modalities like PROTACs and peptides, targeting previously intractable biological targets. These unique characteristics require new methodologies for predicting oral bioavailability. The adoption of chromatographic assays for compound optimization and the continuous refinement of machine learning models are detailed. Data from 691 PROTACs reveals a log D sweet spot for oral bioavailability, highlighting the synergy between experimental data and predictive models in driving optimization.

WCK 4873 (INN: Nafithromycin): Structure-activity relationship (SAR) identifying a novel lactone ketolide with activity against Streptococcus pneumoniae (SPN) and Streptococcus pyogenes (SPY)

I share the above paper published in "Results In Chemistry" 2023. A must-read for medicinal chemists. Nafithromycin is an excellent case study for Medicinal Chemistry students, illustrating the intricate process of drug design and development.

Transforming Tomorrow: Mastering the Basics and Beyond in Medicinal Chemistry Education

Medicinal chemistry, straddling the intersection of chemistry and biology, is pivotal in drug discovery and synthesis. A robust educational foundation in this field emphasizes fundamental principles, fostering a deep understanding and application of core concepts. By integrating systems biology, innovative teaching methodologies, and collaborative industry-academia models, medicinal chemistry education aims to address global health challenges and drive pharmaceutical innovation

Nature's Remedy: Harnessing Organosulfur to Combat Metabolic Disorders and Infections

Sulfur has been a medicinal staple since ancient Greek times, with the FDA approving around 350 sulfur-containing drugs.

Unnatural Amino Acids: Strategies, Designs, and Applications in Medicinal Chemistry and Drug Discovery

Peptides serve as therapeutic agents, bridging the gap between small molecules and biologics. Despite their potential, developing peptides with drug-like properties is challenging. Unnatural amino acids (UAAs) have become essential for optimizing physicochemical properties and improving target selectivity in peptide drugs. \

Revolutionizing Chiral Control: Fast-Tracking COVID-19 Treatments

The development of nirmatrelvir (PAXLOVID) adhered to a rapid, 17-month timeline, resulting in an oral antiviral for COVID-19. This paper details the chiral control strategy that ensured high-quality drug production from initial human studies to commercial filing. Modeling, synthetic efforts, and analytical methods were employed to measure only two stereoisomers out of 63 in the final product.

Game-Changer: Chiral-Functionalized Membranes Revolutionize Chiral Drug Separation

The latest trend of integrating chiral designs into robust membrane systems is opening new possibilities for chiral separation technology. However, creating chiral sites within membrane laminates remains a challenge.

Structure-Activity Relationships and Target Selectivity of Phenylsulfonylamino-Benzanilide Inhibitors Based on S1647 at the SLC10 Carriers ASBT, NTCP, and SOAT

Source: J. Med. Chem. 2024, 67, 21, 19342–19364 https://lnkd.in/g7bMxMCM

Breakthrough CO Prodrugs: Adamantane-Fused Norbornen-7-Ones with Adjustable Water Solubility

Creating organic prodrugs for controlled CO delivery in therapy has been a key focus.
Source: Yang, C., Ji, X., Vaskuri, G.S.S.J. et al. CO prodrugs: a new scaffold of adamantane-fused norbornen-7-ones with tunable water solubility. Med Chem Res (2024). https://lnkd.in/gmWjpP4v

Unlocking Natural Treasures: Pioneering Bioactivity Screening, Dereplication, Metabolomics, Genomics, Databases, Informatics, and Structural Elucidation for Natural Product Discovery

Natural Products (NP) are crucial for discovering new drugs and products for various biotechnological applications. However, the discovery process is costly and time-consuming, mainly due to challenges like dereplication (early identification of known compounds) and determining the absolute configuration of metabolites with stereogenic centers.

Discovering Nitrogen Innovations: FDA-Approved Pharmaceuticals 2013-2023

This "perspective extends the analysis of U.S. FDA-approved small-molecule drugs containing nitrogen heterocycles from 1938–2012.

Double Impact: Piperazine-Infused Nucleoside Derivatives as Potent, Selective PRMT5 Inhibitors

Source: Huaxuan Li., et. al., One stone two birds: Introducing piperazine into a series of nucleoside derivatives as potent and selective PRMT5 inhibitors, https://lnkd.in/gpNcUz5b , https://lnkd.in/gPbNF-qP

DIRECT CHIRAL DISCRIMINATION WITH NMR

Molecular chirality is crucial in biochemical and chemical reactions, especially in pharmaceuticals where many drugs are chiral. One enantiomer can have therapeutic effects, while its mirror image might be inactive or toxic. Therefore, distinguishing the active enantiomer is vital in drug discovery. The case of thalidomide highlights this importance.

Unifying Chemistry: One Chiral Fingerprint to Rule Them All

Molecular fingerprints are crucial tools in cheminformatics, yet they often overlook stereochemistry, which is essential for large, chiral molecules.

Axial Chirality in Alkylidene-Cyclic Molecules

Axial chirality is a fascinating phenomenon in organic chemistry, essential in many organic compounds. Atropisomers like biaryls, anilides, and diaryl ethers exhibit axial chirality due to restricted rotation around a single bond. Allenes, spiranes, and alkylidenecycloalkanes also exhibit this chirality, resulting from the perpendicular arrangement of substituent pairs.

Molecular Medicinal Insights: Scaffold Hopping Drives Drug Discovery Success

It highlights the essential innovations in hypotheses, methodologies, and technologies that shorten drug research and development, ultimately enhancing success rates. The article thoroughly demonstrates how scaffold hopping strategies have successfully expanded druggable molecular spaces and improved P3-properties (pharmacodynamics, physicochemical, and pharmacokinetic properties).

Advances in covalent drug discovery

Covalent drugs have been pivotal in disease treatment for over a century, with recent advances in tools for their rational design. Adding reactive functional groups to ligands enhances potent and selective inhibition of target proteins, exemplified by EGFR and BTK inhibitors for cancer. 'Electrophile-first' approaches have led to discoveries like KRAS(G12C) and SARS-CoV-2 protease inhibitors. Covalent screening technologies and chemoproteomics platforms now complement ligand discovery and profiling. This Review highlights milestones in covalent drug discovery, emphasizing lessons learned and the evolving toolbox driving success.\

Revolutionizing Drug Solubility and Delivery with Deep Eutectic Solvents

Deep eutectic solvents (DES) offer an eco-friendly solution for dissolving bioactive compounds without altering their properties. Their customizable qualities make them ideal for enhancing the solubility of active pharmaceutical ingredients (APIs), crucial for developing advanced drug formulations.

Comprehensive Analysis of Synthetic Routes, Targets, and Reactions types (2000–2020)

Analysis of a large dataset (640k synthetic routes, 2.4m reactions) from six journals (2000-2020) reveals trends in publishing rates, data availability, target and starting material characteristics (molecular weight, complexity, elemental composition, chirality, and ring systems), and reaction classes.

Crafting Your Next Medicinal Chemistry Article: Key Metrics and Author Guidelines for Industrial Researchers

Although this editorial is slightly dated, it offers valuable perspectives for medicinal chemists and drug designers.

CHIRALITY: The Vital Role in Modern Drug Discovery

Source: Narmatha Senkuttuvan, et al., The significance of chirality in contemporary drug discovery-a mini review. https://lnkd.in/gNKfDCWf https://lnkd.in/g53PJHXQ

Cross-Coupling Reactions: From Established Principles to Emerging Innovations

I'm confident this editorial will captivate organic and medicinal chemists and drug discovery enthusiasts, far and wide.

Strategies for the Synthesis of Enantiopure Mechanically Chiral Molecules

Source: https://lnkd.in/ghDHFhFG

Resolving Exceptions and Paradoxes in Chemical Reactivity

This critical perspective sheds light on a thinking framework, offering one of many paths to harness anomalies for scientific advancement.

Enantioselective analysis of pesticides in food, biological, and environmental samples by chromatographic techniques and capillary electrophoresis

Source: https://lnkd.in/ed45QZmV https://lnkd.in/e9z_M2k9

Heterocycles: Essential Pillars in the Evolution of Modern Drug Discovery

I believe Medicinal Chemists and Drug Designers will find this editorial illuminating, as it underscores the pivotal role of heterocycles in pharmaceutical research and patient care advancements.

One-Pot Three-Component Synthesis of Biologically Promising Indenoquinoxaline Fused Spiroheterocycles Starting from 11H-indeno[1,2-b]quinoxalin-11-ones

Source: https://lnkd.in/g9GB5mE6 | https://lnkd.in/gsVPQn-q

This article is sure to capture the interest of R&D Chemists and Engineers.

Enantioselective Behaviors of Chiral Pesticides and Enantiomeric Signatures in Foods and the Environment

Source: J. Agric. Food Chem. 2023, 71, 33, 12372–12389 https://lnkd.in/eUPZuJr5

Inhibitory potential of nitrogen, oxygen and sulfur containing heterocyclic scaffolds against acetylcholinesterase and butyrylcholinesterase

Heterocycles play a crucial role in organic chemistry due to their vast applications in biology, chemistry, and pharmaceuticals. These compounds are essential in nature, medicine, and innovation. Most commonly, they include pure nitrogen heterocycles or combinations of nitrogen, oxygen, and sulfur in five or six-membered rings.

An axial-to-axial chirality transfer strategy for atroposelective construction of C–N axial chirality

by Ze-Shui Liu et al | Source: https://lnkd.in/gQ5FtASZ | https://lnkd.in/gAuBtgps

Bioinspired chiral inorganic nanomaterials

Source: Cho, N.H. et al. Bioinspired chiral inorganic nanomaterials. Nat Rev Bioeng 1, 88–106 (2023). https://lnkd.in/eFwUZPns | https://lnkd.in/ef4FMKRQ

UNLOCKING THE POWER OF CHIRALITY: 3D Chemical Space Exploration and Modern Drug Discovery Breakthroughs

Source: Silvestri IP, Colbon PJJ. The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID: Topical Innovations. ACS Med Chem Lett. 2021 Jul 16;12(8):1220-1229. doi: 10.1021/acsmedchemlett.1c00251. https://lnkd.in/gnPuJmWQ

Revolutionizing Synthesis: Asymmetric Reactions for Chiral Cyclic and Heterocyclic Alcohols

Chiral cyclic and heterocyclic alcohols are crucial for fine chemicals, agrochemicals, and chiral pharmaceuticals like ladostigil, imbruvica, and sulopenem.

Powerhouse Inhibitor: Geldanamycin, the Natural Hsp90 Blocker and Medicinal Chemistry Pioneer

Geldanamycin continues to be a key player in Hsp90 inhibition, even 50 years after its discovery. This perspective highlights the benzoquinone ring’s ability to undergo various functionalization reactions.

Chirality communications between inorganic and organic compounds

Chirality bridges the gap between inorganic and organic compounds, creating a unique communication channel between different materials. This transfer primarily occurs through material hybridization and asymmetric synthesis. Recognition usually happens through enantioselective adsorption of organic compounds on inorganic surfaces.

Revolutionizing Drug Discovery: Cutting-Edge Computational Approaches for Small Molecules

2024 has been an extraordinary year for computational sciences. The Nobel Prize in Physics was awarded for “artificial neural network,” and the Nobel Prize in Chemistry for “protein structure prediction and design.”

Breaking New Ground: Advances in Enantioselective Radical Desymmetrization

Enantioselective desymmetrization of prochiral and meso compounds is an efficient way to create complex enantioenriched molecules in one step.

Green Power in Pharma: Nanocarrier Biocatalysts Redefining Medicine through Eco-Friendly Synthesis

Nanobiocatalysts (NBCs) merge the strengths of enzymes and nanomaterials, creating a promising new class of biocatalysts.

AI and Human Ingenuity Unite: Redefining Drug Design in the Modern Era

I'm pleased to share this perspective titled 'Rethinking Drug Design in the Artificial Intelligence Era,' published in Nature Reviews Drug Discovery in 2019. Though it's a bit dated, I believe it's still a compelling read for all medicinal chemists and drug designers. I hope you find it insightful.

Revolutionizing Early Drug Development: Advances in Metabolomics Analysis

The pharmaceutical industry was quick to adopt proteomics and other 'omics technologies for drug research. While metabolomics initially lagged behind, it has now become a widely accepted approach in early drug development.

Advancing Chiral Chemistry: Organocatalytic Enantioselective Sulfur Alkylation of Sulfenamides for Sulfilimines Synthesis

In recent years, asymmetric synthetic methods for sulfur stereogenic centers have seen rapid development, significantly impacting drug discovery. Replacing carbon atoms with nitrogen in drug molecules has become a popular optimization strategy, as nitrogen can greatly enhance pharmacological properties. This is evident in the growing importance of chiral sulfoximines, the aza-analogs of sulfones. Nitrogen substitution at the sulfur center generates intrinsic chirality and provides additional modification sites. The nitrogen's lone pair also promotes favorable hydrogen bonding and coordination.

Breaking New Ground: Sulfonated Molecules Revolutionize Biomaterials

This review explores the latest applications of sulfonated molecules in biomaterials. Sulfonation, the process of adding sulfonic acid groups, enhances the properties of these materials.

Enantioselective reduction of sulfur-containing cyclic imines through biocatalysis

The 3-thiazolidine ring is vital in life sciences, but reducing 3-thiazolines has been a challenge with most chemical methods.

Pioneering Silver-Catalyzed Epoxide to Cyclopropane Conversion with N-Triftosylhydrazones

Epoxides are vital small ring O-heterocycles and pivotal in medicinal chemistry. Traditional O-to-C replacements often require high temperatures with low yields, posing a challenge.

Application of Chiral Piperidine Scaffolds in Drug Design

Chiral piperidine scaffolds are common in many pharmaceuticals. This review highlights their diversity in newly approved drugs, as well as in leading and candidate drugs. It discusses their crucial role in drug design. Adding chiral piperidine scaffolds to small molecules can improve drug-like properties, such as:

Recent Advances in Catalytic Desymmetrization for the Synthesis of Axially Chiral Biaryls

Atropisomeric compounds are important in pharmaceuticals and materials science. Their enantioselective synthesis has garnered significant attention. Desymmetrization is a robust method for creating axially chiral biaryls. It's simpler than other strategies due to easier substrate design. However, challenges like forming achiral products and distant reaction sites exist.

Phonon-Induced Geometric Chirality

Chiral properties are making waves in emerging fields like chiral quantum optics, plasmonics, and phononics. While manipulating the chirality of light and lattice vibrations has been achieved, controlling material chirality on demand has remained elusive.

Advances on Greener Asymmetric Synthesis of Antiviral Drugs via Organocatalysis

Viral infections are a leading cause of severe human diseases and high mortality rates. This article underscores the critical efforts by academia and the pharmaceutical industry to discover new antiviral compounds.

Recent Developments Towards the Synthesis of Triazole Derivatives: A Review

Triazoles are a key part of heterocyclic chemistry, acting as essential building blocks in organic synthesis, materials science, and medicinal chemistry. They form a five-membered ring with three nitrogen and two carbon atoms and exist in two isomeric forms: 1,2,3-triazole and 1,2,4-triazole.

Prescribed drugs containing nitrogen heterocycles: an overview

Heteroatoms and heterocyclic scaffolds are common in many active pharmaceuticals and natural products. Over 85% of biologically active compounds contain these structures, especially nitrogen heterocycles. This highlights their crucial role in modern drug design and discovery.

Atropisomerism in the Pharmaceutically Relevant Realm

Atropisomerism, where there's restricted rotation around a bond leading to conformational chirality, is found in many drug structures like biaryls and heterobiaryls. These atropisomers vary in stability, with some being suitable for drug development.

Synthesis at the Interface of Chemistry and Biology

Chemical synthesis controls the structure and properties of matter, from fine chemicals and polymers to drugs and materials. Traditional tools fall short with larger molecules, but Mother Nature's strategies offer new possibilities. By merging natural and modern chemical tools, it's possible to create new macromolecules and even organisms with novel properties.

Enzymatic DNA Synthesis: Going to Great Lengths

The demand for DNA is at an all-time high, driven by fields such as cell and gene therapy, vaccine development, protein engineering, data storage, and biomanufacturing. To meet these demands, researchers are developing innovative ways to customize and mass-produce synthetic DNA, sidestepping the limitations and low yields of extracting it from natural sources.

Photochemical Synthesis of Chiral Heterocycles via Asymmetric Carbon-Heteroatom Bond Formation

This article focuses on the recent developments in photochemical synthesis of chiral heterocyclic compounds, which are essential in pharmaceuticals, materials science, and agrochemicals. Over the past 15 years, photochemical asymmetric transformations have garnered significant attention, particularly for their role in drug discovery and development.

Going Chiral: Breakthrough in Synthesizing Carbon Nanotubes with Precise Chirality

Researchers have made a major breakthrough in carbon nanotube (CNT) synthesis with a new catalyst that precisely controls their atomic arrangement, known as chirality. This development opens up new possibilities for innovative semiconductor devices, solving a challenge that's been unresolved for over 30 years.

Escape from Flatland: 2D to 3D Molecules via Dearomatization

Many organic molecules in medicinal chemistry are quite flat due to aromatic rings. However, over the last few decades, diversity-oriented synthesis (DOS) has developed new strategies to increase the complexity and three-dimensionality of drug candidates.

Design, Synthesis, and Utility of Defined Molecular Scaffolds

In modern chemistry, creating functional molecules by joining organic building blocks is a major theme. This involves using various 'scaffolds,' or structural frameworks, made from 'hubs' like triazine and lysine.

Biocatalysis: A smart and green tool for the preparation of chiral drugs

This review highlights the innovative use of biocatalysis in synthesizing chiral drugs and their intermediates. Over the past decades, biocatalysis has garnered significant interest due to its high efficiency, yield, and eco-friendly processes. It has proven particularly effective in preparing chiral molecules.

Basic Nitrogen (BaN) Is a Key Property of Antimalarial Chemical Space

The perspective paper highlights the essential role of basic nitrogen (BaN) in antimalarial drugs. Although BaN is a key component in most antimalarials, its role hasn't been systematically studied.

Recent Advances in the Enantioselective Synthesis of Chiral Amines via Transition Metal-Catalyzed Asymmetric Hydrogenation

Chiral amines are crucial components found in many natural products, medicines, and biologically active substances. Over the past decade, significant progress has been made in creating chiral amines, especially through a process called catalytic asymmetric hydrogenation (AH).

New 'chiral vortex' of light allows chemists to 'see' molecules through the mirror

This paper focuses on enhancing the efficiency and robustness of chiral optical discrimination by embedding topological properties into the enantiosensitive optical response of chiral molecules.

Seven-membered N-heterocycles as approved drugs and promising leads in medicinal chemistry as well as the metal-free domino access to their scaffolds

Azepanes and azepines are key structures in numerous drugs, drug candidates, and tested lead compounds. Despite the frequent occurrence of N-heterocyclic 7-membered rings in nature, such as in alkaloids, naturally occurring compounds of this type are seldom approved as therapeutics.

Asymmetric Synthesis and Applications of Chiral Organoselenium Compounds: A Review

This paper reviews the development and application of organoselenium compounds, highlighting their significance in medicine, materials, and organic synthesis. It focuses particularly on chiral organoselenium compounds, essential for these fields. Despite their importance, producing these compounds in an ecofriendly manner remains a challenge.

Challenges and innovations in chiral drugs in an environmental and bioanalysis perspective

This review explores the advancements in chiral analysis for environmental, forensic, and bioanalytical applications. It highlights the challenges and innovations in chiral screening technologies, emphasizing higher detectability and lower sample volumes. Various methods and their applications, particularly in forensic analysis, are discussed.

Chiral Drug Analysis in Forensic Chemistry: An Overview

This paper explores how chiral analysis is used in both biological and environmental contexts, emphasizing its importance in forensic science.

Chirality: The Backbone of Chemistry as a Natural Science

This paper highlights the crucial role of chiral dissymmetry in the chemical evolution toward life. Chemistry, as a natural science, spans a vast range of scales, from the formation of atoms and molecules to the development of proto-life systems capable of catalytic synthesis, replication, and Darwinian evolution.

Widened Scope of Drug Repurposing/Chiral Switches, Elements of Secondary Pharmaceuticals: The Quinine/Quinidine Case

This perspective article explores drug repurposing and chiral switches, focusing on the antimalarial quinine and the antiarrhythmic quinidine. It highlights how these drugs, with histories dating back to 1638, have been repurposed for new medical uses.

Biocatalysis

This excellent primer delves into the latest methodologies in the field, covering aspects such as route design, enzyme discovery, protein engineering, and the industrial implementation of biocatalysis.

A Look at the Importance of Chirality in Drug Activity: Some Significative Examples

An excellent review that provides a brief overview of the most common chiral drugs used in therapy for treating various diseases.

Ynamides: Versatile Tools in Organic Synthesis

This review highlights the major developments in the field of ynamides. They offer unique opportunities to add nitrogen-based functionalities to organic molecules, making them incredibly useful and versatile building blocks for organic synthesis.

Umpolung strategies for the functionalization of peptides and proteins

This perspective highlights the innovative use of umpolung strategies for peptide and protein functionalizations.

Demystifying racemic natural products in the homochiral world

This review aims to explore the structural complexity, diversity, and chirality of natural products and their significant impact on drug discovery.

Stereochemical diversity as a source of discovery in chemical biology

This review examines how chirality provides valuable chemical information at the chemistry-biology interface. It also looks at the chemical information density of FDA-approved drugs and the impact of stereochemistry on molecular complexity, with discussions on axial chirality and atroposelectivity as potential expansions.

Breaking Molecular Symmetry through Biocatalytic Reactions to Gain Access to Valuable Chiral Synthons

This interesting review highlights recent advancements in using biocatalytic reactions to break the symmetry of meso-compounds and symmetric prochiral molecules. Since 2015, research shows that lipases remain the go-to enzymes for these reactions due to their versatility, stability under various conditions, and easy availability.

Chiral pharmaceuticals: Environment sources, potential human health impacts, remediation technologies and future perspective

This paper focuses on the widespread use and environmental impact of chiral pharmaceuticals, including NSAIDs, β-blockers, and some agrochemicals.

These compounds often end up as pollutants in soil and water due to industrial waste, improper storage, and animal waste. Human exposure, primarily through medical treatments and environmental contamination, can lead to serious health issues, including cancer.

The Quest for Secondary Pharmaceuticals: Drug Repurposing/Chiral-Switches Combination Strategy

This perspective introduces a new strategy that combines drug repurposing and chiral switches. It highlights examples like ketamine, flurbiprofen, fenfluramine, and milnacipran that has undergone this combination strategy. Also discusses a variation involving deuterium-enabled chiral switches of thalidomide analogs.

Expanding the medicinal chemistry synthetic toolbox

This perspective aims to identify opportunities for expanding the synthetic toolbox of medicinal chemists to enhance future drug discovery. Also highlights the limitations of current reaction parameters, synthesis design tools, and strategies. It also identifies opportunities to expand the synthetic toolbox of medicinal chemists.

Property-Based Drug Design Merits a Nobel Prize

This interesting editorial highlights the most significant advancements in property-based drug design and its profound impact on oral small molecule drug discovery over the past 25 years. While not a comprehensive review, it underscores how this approach, combined with other techniques, has led to the development of more innovative and complex drugs, targeting challenging therapeutic areas and treating complicated diseases.

Chirality in Insecticide Design and Efficacy

This review delves into the latest advancements in chiral insecticides, including neonicotinoids, isoxazolines, and sulfiliminyls.

It explores their stereochemistry, synthesis, mode of action, and environmental behavior, highlighting the crucial role of chirality in enhancing insecticidal properties. The review underscores the need for ongoing research into new chiral compounds and advanced synthesis methods to improve effectiveness, reduce toxicity to non-target organisms, and promote environmental sustainability.

Globally Approved EGFR Inhibitors: Insights into Their Syntheses, Target Kinases, Biological Activities, Receptor Interactions, and Metabolism

This is an interesting review that discusses the development and clinical use of fourteen FDA-approved EGFR inhibitors for cancer therapy. It covers their chemical structures, target kinases, synthetic routes, crystal structures, binding interactions, cytotoxicity, and metabolism.

The Exploration of Chirality for Improved Druggability within the Human Kinome

This perspective explores how chirality can enhance the druggability of kinases, offering a valuable resource for developing innovative kinase inhibitors to meet current therapeutic needs.

Chiral Switch: Between Therapeutical Benefit and Marketing Strategy

This excellent review explores the evolution of the chiral switch concept over the past 25 years. Initially, it was believed that existing racemates would provide a rich source of new single enantiomer drugs, but this has proven challenging. However, in some cases, chiral switches have allowed racemate owners to extend their product lines, especially if marketed before the racemate’s patent expires.

Chirality: a key parameter in chemical probes

The article highlights how crucial it is to get chirality right in the pharmaceutical industry. Remember the thalidomide tragedy? It’s a stark reminder of what can go wrong when different isomers of a drug have different biological effects. The authors stress that developers and manufacturers need to be meticulous about chiral identity and purity to avoid wasting time and resources.

New Drugs Approved by FDA in 2023

This review article offers a fascinating look at the clinical applications and production methods of 29 new chemical entities (NCEs) approved by the FDA in 2023.

It provides a thorough understanding of the synthetic techniques used to create these drugs, hoping to inspire the development of new, efficient, and practical synthetic methods.

Biocatalysis

This fascinating paper delves specifically into the pivotal role of biocatalysis in asymmetric synthesis and its significant impact on intellectual property activities during the period 2014 to 2019.

The interdisciplinary nature of biocatalysis brings together various fields like biology, chemistry, engineering, and business, fostering innovation through their synergy. To highlight the inventive and innovative steps, only patents granted during this period are considered.

Chirality of New Drug Approvals (2013−2022): Trends and Perspectives

An interesting paper that critically examines the trends in chirality in new drug approvals over the past decade (2013−2022), tells why the study is of prominence and offers valuable suggestion for regulators.

2021 Nobal Price in Chemistry

In 2021, Benjamin List and David W.C. MacMillan were honored with the Nobel Prize in Chemistry for their pioneering work in developing asymmetric organocatalysis, a revolutionary tool for building molecules.

Asymmetric Synthesis of US-FDA Approved Drugs over Five Years (2016–2020): A Recapitulation of Chirality

An excellent review highlights the techniques used to synthesis FDA-approved chiral drugs from 2016 to 2020, focusing on asymmetric synthesis methods like chiral induction, resolution, and using chiral pools.

Interface Chirality: From Biological Effects to Biomedical Applications

A brilliant review that focus on the latest discoveries and advancements in chiral bio-interfaces. It delves into how interface chirality influences cell fate, tissue repair, and immune responses in organisms. Biological applications of interface chirality, such as drug delivery, antibacterial, antiviral, and antitumor activities, as well as biological signal detection are explored. Further, the challenges and potential applications of chiral bio-interfaces in the biomedical field are also discussed.