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★★★★★★★2014书籍超级帖三七七《模拟为基础的药物发现》
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书名-Analogue-based drug discovery 作者Já nos Fischer and C. Robin Ganellin 页数 608 出版社 wiley ISBN-13: 978-3-527-31257-3 ISBN-10: 3-527-31257-9 目录Preface XVII Introduction XIX List of Contributors XXV Abbreviations XXIX Part I General Aspects of Analogue-Based Drug Discovery 1 1 Analogues as a Means of Discovering New Drugs 3 Camille G. Wermuth 1.1 Designing of Analogues 3 1.1.1 Analogues Produced by Homologous Variations 3 1.1.1.1 Homology Through Monoalkylation 3 1.1.1.2 Polymethylenic Bis-Ammonium Compounds: Hexa- and Decamethonium 3 1.1.1.3 Homology in Cyclic Compounds 4 1.1.2 Analogues Produced by Vinylogy 4 1.1.2.1 Zaprinast Benzologues 5 1.1.3 Analogues Produced by Isosteric Variations 5 1.1.3.1 The Dominant Parameter is Structural 5 1.1.3.2 The Dominant Parameter is Electronic 6 1.1.3.3 The Dominant Parameter is Lipophilicity 7 1.1.4 Positional Isomers Produced as Analogues 7 1.1.5 Optical Isomers Produced as Analogues 8 1.1.5.1 Racemic Switches 8 1.1.5.2 Specific Profile for Each Enantiomer 8 1.1.6 Analogues Produced by Ring Transformations 9 1.1.7 Twin Drugs 9 1.2 The Pros and Cons of Analogue Design 10 1.2.1 The Success is Almost Warranted 10 Contents VI 1.2.2 The Information is Available 11 1.2.3 Financial Considerations 11 1.2.4 Emergence of New Properties 12 1.3 Analogue Design as a Means of Discovering New Drugs 12 1.3.1 New Uses for Old Drugs 12 1.3.2 The PASS Program 14 1.3.3 New Leads from Old Drugs: The SOSA Approach 14 1.3.3.1 Definition 14 1.3.3.2 Rationale 15 1.3.3.3 Availability 15 1.3.3.4 Examples 15 1.3.3.4 Discussion 18 1.4 Conclusion 20 2 Drug Likeness and Analogue-Based Drug Discovery 25 John R. Proudfoot 3 Privileged Structures and Analogue-Based Drug Discovery 53 Hugo Kubinyi 3.1 Introduction 53 3.2 Drugs from Side Effects 54 3.3 Agonists and Antagonists 55 3.4 Privileged Structures 57 3.5 Drug Action on Target Classes 58 3.5.1 GPCR Ligands 59 3.5.2 Nuclear Receptor Ligands 61 3.5.3 Integrin Ligands 61 3.5.4 Kinase Inhibitors 63 3.5.5 Phosphodiesterase Inhibitors 64 3.5.6 Neurotransmitter Uptake Inhibitors 65 3.6 Summary and Conclusions 65 Part II Selected Examples of Analogue-Based Drug Discoveries 69 1 Development of Anti-Ulcer H2-Receptor Histamine Antagonists 71 C. Robin Ganellin 1.1 Introduction 71 1.2 The Prototype Drug, Burimamide, Defined Histamine H2-Receptors 71 1.3 The Pioneer Drug, Cimetidine: A Breakthrough for Treating Peptic Ulcer Disease 72 1.4 Ranitidine: The First Successful Analogue of H2 Antagonists 73 1.5 The Discovery of Tiotidine and Famotidine 76 Contents VII  IUPAC, Janos Fischer, C.jpg |
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