Structure-based Design of Drugs and Other Bioactive Molecules. Tools and Strategies

  • ID: 2674255
  • Book
  • 474 Pages
  • John Wiley and Sons Ltd
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Drug design is a complex, challenging and innovative research area. Structure–based molecular design has transformed the drug discovery approach in modern medicine. Traditionally, focus has been placed on computational, structural or synthetic methods only in isolation. This one–of–akind guide integrates all three skill sets for a complete picture of contemporary structure–based design.

This practical approach provides the tools to develop a high–affinity ligand with drug–like properties for a given drug target for which a high–resolution structure exists. The authors use numerous examples of recently developed drugs to present "best practice" methods in structurebased drug design with both newcomers and practicing researchers 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.

This book is aimed at new and active medicinal chemists, biochemists, pharmacologists, natural product chemists and those working in drug discovery in the pharmaceutical industry. It is highly recommended as a desk reference to guide students in medicinal and chemical sciences as well as to aid researchers engaged in drug design today.

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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
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Arun K. Ghosh
Sandra Gemma
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