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Privileged scaffolds in medicinal chemistry
Royal Society of Chemistry (Great Britain)
One strategy to expedite the discovery of new drugs, a process that is somewhat slow and serendipitous, is the identification and use of privileged scaffolds. This book covers the history of the discovery and use of privileged scaffolds and addresses the various classes of these important molecular fragments. The first of the benzodiazepines, a class of drugs that is powerful for treating anxiety, may not have been discovered had it not been for a chance experiment on the contents of a discarded flask found during a lab clean-up. Some years later, scientists discovered that benzodiazepine derivatives were also effective in treating other diseases. This class of molecules was the first to be described as privileged in the sense that it is especially effective at altering the course of disease. Other privileged molecular structures have since been discovered, and since these compounds are so effective at interacting with numerous classes of proteins, they may be an effective starting point to look for new drugs against the supposedly ₃undruggable₄ proteins. Following introductory chapters presenting an overview, a historical perspective and the theoretical background and findings, main chapters describe the structure of privileged structures in turn and discuss major drug classes associated with them and their syntheses. This book provides comprehensive coverage of the subject through chapters contributed by expert authors from both academia and industry and will be an excellent reference source for medicinal chemists of a range of disciplines and experiences.
Cover; Preface; Contents; Chapter 1 Privileged Scaffolds in Medicinal Chemistry: An Introduction; 1.1 Introduction; 1.2 The Privileged Scaffolds in Drug Discovery; 1.3 Conclusion; Acknowledgments; References; Chapter 2 Privileged Scaffolds in Medicinal Chemistry -- A Computational Approach; 2.1 Introduction; 2.2 Scope of the Study; 2.3 Privileged Scaffolds; 2.4 Molecular Docking; 2.5 Protein Structure Prediction; 2.5.1 Comparative Modeling; 2.5.2 Threading (Fold Recognition); 2.5.3 Model Building and Refinement; 2.5.4 Loop Modeling; 2.5.5 Side Chain Modeling; 2.5.6 Model Building
4.1.4 Natural Products Containing (Benz)imidazoles4.2 Case Studies of Marketed Drugs; 4.2.1 Angiotensin II Receptor Antagonists; 4.2.2 H+, K+-ATPase Inhibitors; 4.2.3 H1-antihistamines; 4.2.4 Anthelmintics; 4.2.5 Miscellaneous; References; Chapter 5 Pyrazoles; 5.1 General Remarks about Pyrazoles; 5.1.1 Physicochemical Properties of Pyrazoles; 5.1.2 Synthesis of Pyrazoles; 5.1.3 Natural Products Containing Pyrazoles; 5.2 (Former) Marketed Drugs; 5.2.1 Anti-inflammatory Drugs; 5.2.2 Vasodilators; 5.2.3 Tyrosine-kinase-inhibitors; 5.2.4 Cannabinoid-receptor-antagonists
Title from title details screen (Royal Society of Chemistry, viewed December 14, 2015).
Privileged Scaffolds in Medicinal Chemistry : Design, Synthesis, Evaluation
Cambridge : Royal Society of Chemistry, ©2015