Oxazole, Isoxazole, Benzoxazole-Based Drug Discovery


Book Description

Oxazole, Isoxazole, Benzoxazole Based Drug Discovery offers complete coverage of oxazole and related molecules, both from natural and synthetic origin, with a focus on the reaction mechanisms, and medicinal, pharmacokinetic and computational aspects. New and contemporary methods of synthesis are discussed, with a special focus on green, environment-friendly procedures. Discussion of stereochemical studies, particularly on natural molecules, are included. Computational chemistry has emerged as an integral tool for drug discovery, hence this book explains how the drug candidate is established as suitable for clinical trials with the help of molecular docking and virtual screening modeling. This book offers a broad range of recent developments and detailed coverage of synthesis and biological activities of the drugs, and is an ideal reference guide to researchers working in organic and medicinal chemistry. - Presents detailed coverage of chemical structures and practical synthetic methods of oxazoles, isoxazoles and benzoxazoles in drug discovery - Includes green, environmentally-friendly novel synthetic methods and mechanistic insights - Features biological and computational aspects of the oxazoles family of drugs, including virtual screening and molecular docking




Heterocyclic Chemistry in Drug Discovery


Book Description

Enables researchers to fully realize the potential to discover new pharmaceuticals among heterocyclic compounds Integrating heterocyclic chemistry and drug discovery, this innovative text enables readers to understand how and why these two fields go hand in hand in the effective practice of medicinal chemistry. Contributions from international leaders in the field review more than 100 years of findings, explaining their relevance to contemporary drug discovery practice. Moreover, these authors have provided plenty of practical guidance and tips based on their own academic and industrial laboratory experience, helping readers avoid common pitfalls. Heterocyclic Chemistry in Drug Discovery is ideal for readers who want to fully realize the almost limitless potential to discover new and effective pharmaceuticals among heterocyclic compounds, the largest and most varied family of organic compounds. The book features: Several case studies illustrating the role and application of 3, 4, 5, and 6+ heterocyclic ring systems in drug discovery Step-by-step descriptions of synthetic methods and practical techniques Examination of the physical properties for each heterocycle, including NMR data and quantum calculations Detailed explanations of the complexity and intricacies of reactivity and stability for each class of heterocycles Heterocyclic Chemistry in Drug Discovery is recommended as a textbook for organic and medicinal chemistry courses, particularly those emphasizing heterocyclic chemistry. The text also serves as a guide for medicinal and process chemists in the pharmaceutical industry, offering them new insights and new paths to explore for effective drug discovery.




Organofluorine Compounds in Biology and Medicine


Book Description

Organofluorine Compounds in Biology and Medicine covers topics on biochemically relevant organofluorine compounds and their synthesis and biochemical pathways. Organofluorine compounds have renewed interest in pharmaceutical industry, and therefore a concise book on this topic is highly relevant to the scientific community involved in this area. - Covers the synthesis, biochemical, and therapeutic applications of organofluorine compounds - Offers a complete text on biochemically relevant organofluorine compounds and their synthesis and mechanistic pathways - Provides one of the first major reference books on the biological and medicinal applications of organofluorine chemistry




Oxazoles, Volume 60, Part A


Book Description

The Chemistry of Heterocyclic Compounds series attempts to make the extraordinarily complex and diverse field of heterocyclic chemistry as organized and readily accessible as possible, presenting a basic reference collection for practicing researchers. Volume 60, Oxazoles: Synthesis, Reactions, and Spectroscopy, Part A proves the sole comprehensive resource on the synthetic chemistry of oxazoles–heterocyclic compounds containing nitrogen and oxygen, specifically five-membered, unsaturated rings. Oxazoles have a wide variety of applications in synthetic organic chemistry and have been found in numerous natural products such as hennoxazole, thiangazole, calyculin, halicondrins, pyrenolide, virginiamycin, amphotericin, and phorboxazoles. This volume provides an authoritative review of the literature since 1983, highlights compounds of commerical importance, and includes in-depth coverage of the synthesis, reactions, and spectroscopic and physical properties for each class of compounds. It also discusses in detail the exciting developments on the use of chiral bioxazolines in asymmetric synthesis.




The Chemistry of Heterocycles


Book Description

Heterocycles are ubiquitously present in nature and occupy a unique place in organic chemistry as they are part of the DNA and haemoglobin that make life possible. The Chemistry of Heterocycles covers an introduction to the topic, followed by a chapter on the nomenclature of all classes of isolated, fused and polycyclic heterocycles. The third chapter delineates the highly strained three membered N,O and S containing aromatic and non-aromatic heterocycles with one and more than one similar and dissimilar heteroatom. The four-membered heterocycles are abundantly present in various natural and synthetic products of pharmacological importance. This chapter describes the natural abundance, synthesis, chemical reactivity, structural features and their medicinal importance. This class of compounds are present as sub-structures in penicillin and cytotoxic Taxol. Lastly, a chapter on the natural abundance, synthesis, chemical reactivity and pharmacological importance of 5-membered heterocycles with N,O,S heteroatom is covered. The chemistry of heterocycles with mixed heteroatom such as, N-S, N-O, N-S etc. is also described. - Gives in-depth, clear information about various systems of nomenclature along with widely acceptable IUPAC system for naming various classes of heterocycles - Provides complete information about natural occurrences, synthesis, chemical reactivity, pharmacological importance of heterocycles and their application in material science - Highly relevant for graduate students and researchers, providing updated information about various isolated and fused N,O and,S containing heterocycles




Bioisosteres in Medicinal Chemistry


Book Description

Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.




Copper in N-Heterocyclic Chemistry


Book Description

Copper in N-Heterocyclic Chemistry provides an overview of copper-catalyzed synthesis and functionalization of N-heterocyclic compounds, covering all recent developments in a way that is ideal for researchers and students working in the area of synthetic organic chemistry and medicinal chemistry. The book explores N-heterocyclic compounds as unique structural units in the development of natural products and pharmaceuticals, along with the remarkable progress made in the area of high atom economic strategies, and more recently, copper-catalyzed C-H activation and its applications in organic synthesis. Readers will find troubleshooting protocols, as well as the advantages and limitations of each method discussed. As copper catalysts show versatile chemical reactivity in many aspects, including their oxidation states 0–3 are accessible and their ability to facilitate bond formations due to their ability to serve as Lewis acids, oxidizing agents and catalysts, this book is an ideal resource on the topics explored. - Discusses novel synthetic methods developed over the past decade for copper-catalyzed synthesis of N-heterocyclic compounds - Covers the most recent methodologies adapted in synthetic chemistry for applications in natural products and pharmaceuticals - Includes troubleshooting protocols, as well as the advantages and limitations of each method discussed in detail




The Combinatorial Index


Book Description

With the explosion of combinatorial solid-phase methods, access to information has become one of the main barriers facing a synthetic chemist who is contemplating a combinatorial approach to a medicinal chemistry problem. The Combinatorial Index is an answer to that problem. This compendium of methods from the primary literature provides quick and convenient access to reliable synthetic transformations as well as information on linkers and analytical methods. Each synthetic procedure is preceded by a section entitled"Points of Interest,"which highlights the strengths and weaknesses of the various studies. The index also covers the use of solution-based synthesis for the generation of molecular diversity. - Organized for rapid retrieval of published information on classes of synthetic transformations, linkers, and analytical methods - Serves as a laboratory manual for bench chemists - Includes a chapter on linkers to assist in choice of linking strategy - Discusses strengths and limitations of the various methods - Contains a structural index showing functional group transformations in solid-phase synthesis




Tactics in Contemporary Drug Design


Book Description

Medicinal chemistry is both science and art. The science of medicinal chemistry offers mankind one of its best hopes for improving the quality of life. The art of medicinal chemistry continues to challenge its practitioners with the need for both intuition and experience to discover new drugs. Hence sharing the experience of drug research is uniquely beneficial to the field of medicinal chemistry. Drug research requires interdisciplinary team-work at the interface between chemistry, biology and medicine. Therefore, the topic-related series Topics in Medicinal Chemistry covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level, structure-activity relationships, drug absorption, distribution, metabolism, elimination, toxicology and pharmacogenomics. In general, special volumes are edited by well known guest editors.




Vicinal Diaryl Substituted Heterocycles


Book Description

Vicinal Diaryl-Substituted Heterocycles: A Gold Mine for the Discovery of Novel Therapeutic Agents draws together all of the key information about these compounds in one place for the first time. Following an informative overview of the importance of these structures to the discovery of potential therapeutic agents, the text goes on to outline the main compound types, with each chapter focusing on the activities of a different structure. Designed to support researchers by consolidating this important information in a single, practical guide, the authors hope to encourage further advancement and development in the discovery of novel therapeutic agents. As flexible building blocks for the production of novel compounds, vicinal diaryl-substituted heterocycles are a rich source of leads for the development of new drugs. Their adaptability means that they can be used to produce structures with a broad range of attractive characteristics, and a large number of vicinal diaryl-substituted heterocyclic compounds have already been synthesized and investigated by medicinal chemists as promising lead molecules. - Collects together details of the key vicinal diaryl-substituted heterocyclic compounds in one place for the first time - Highlights biological activities and SAR of derivatives - Structured practically for ease of navigation between different derivatives