Main description:

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 structure-based drug design with the novice in mind. By way of a carefully balanced mix of theoretical background and case studies from medicinal chemistry applications, readers will quickly and efficiently master the basic skills of successful drug design.

Contents:

From Traditional Medicine to Modern Drugs: Historical Perspective of Structure-Based Drug Design CONCEPTS, TOOLS, LIGANDS AND SCAFFOLDS FOR STRUCTURE-BASED DESIGN OF INHIBITORS Design of Inhibitors of Aspartic Acid Proteases Design of Serine Protease Inhibitors Design of Proteosome Inhibitors Design of Cysteine Protease Inhibitors Design of Metalloprotease Inhibitors Structure-Based Design of Protein Kinase Inhibitors Protein X-Ray Crystallography in Structure-Based Drug Design Structure-Based Design Strategies for Targeting G-Protein Coupled Receptors (GPCRs) STRUCTURE-BASED DESIGN OF FDA-APPROVED INHIBITOR DRUG AND DRUGS UNDERGOING CLINICAL DEVELOPMENT Angiotensin-Converting Enzyme Inhibitors for the Treatment of Hypertension: Design and Discovery of Captopril HIV-1 Protease Inhibitors for the Treatment of HIV Infection and AIDS: Design of Saquinavir, and Darunavir Protein Kinase Inhibitor Drugs for Targeted Cancer Therapy: Design and Discovery of Imatinib, Nilotinib and Dasatinib NS3/4A Serine Protease Inhibitors for the Treatment of HCV: Design and Discovery of Boceprevir and Telaprevir Proteasome Inhibitors for the Treatment of Relapsed Multiple Myeloma: Design and Discovery of Bortezomib and Carfilzomib Direct Thrombin Inhibitors as Anticoagulant Drugs Development of Direct Thrombin Inhibitor, Dabigatran Etexilate, as an Anticoagulant Drug Non-Nucleoside HIV Reverse Transcriptase Inhibitors for the Treatment of HIV/AIDS: Design and Development of Etravirine and Rilpivirine Renin Inhibitor for the Treatment of Hypertension: Design and Discovery of Aliskiren Neuraminidase Inhibitors for the Treatment of Influenza: Design and Discovery of Zanamivir and Oseltamivir Carbonic Anhydrase Inhibitors for the Treatment of Glaucoma: Design and Discovery of Dorzolamide Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease: Preclinical and Clinical Inhibitors Index