Structure-based Design of Drugs and Other Bioactive Molecules: Tools and Strategies; Contents; Preface; 1 From Traditional Medicine to Modern Drugs: Historical Perspective of Structure-Based Drug Design; 1.1 Introduction; 1.2 Drug Discovery During 1928-1980; 1.3 The Beginning of Structure-Based Drug Design; 1.4 Conclusions; References; Part One: Concepts, Tools, Ligands, and Scaffolds for Structure-Based Design of Inhibitors; 2 Design of Inhibitors of Aspartic Acid Proteases; 2.1 Introduction; 2.2 Design of Peptidomimetic Inhibitors of Aspartic Acid Proteases
2.8.4 Design of Acyl Guanidine-Based Inhibitors2.8.5 Design of Aminopyridine-Based Inhibitors; 2.8.6 Design of Aminoimidazole- and Aminohydantoin-Based Inhibitors; 2.9 Conclusions; References; 3 Design of Serine Protease Inhibitors; 3.1 Introduction; 3.2 Catalytic Mechanism of Serine Protease; 3.3 Types of Serine Protease Inhibitors; 3.4 Halomethyl Ketone-Based Inhibitors; 3.5 Diphenyl Phosphonate-Based Inhibitors; 3.6 Trifluoromethyl Ketone Based Inhibitors; 3.6.1 Synthesis of Trifluoromethyl Ketones; 3.7 Peptidyl Boronic Acid-Based Inhibitors
Summary
In contrast to previous texts focusing on either computational, structural or synthetic methods, this one-of-a-kind guide integrates all three skill sets for a complete picture of contemporary structure-based design. As a result, this practical book demonstrates how to develop a high-affinity ligand with drug-like properties for any given drug target for which a high-resolution structure exists. The authors, both of whom have successfully designed drug-like molecules that were later developed into marketed drugs, use numerous examples of recently developed drugs to present best practice in
Bibliography
Includes bibliographical references at the end of each chapters and index
