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Book Cover
E-book
Author Klebe, Gerhard

Title Drug design : methodology, concepts, and mode-of-action / Gerhard Klebe
Published Berlin : Springer, 2013

Copies

Description 1 online resource (720 pages) : color illustrations
Series 2012-2013 Springer E-Books - Biomedical & Life Sciences
Contents Part I: Fundamentals in Drug Research -- Drug Research: Yesterday, Today, and Tomorrow -- In the Beginning, There Was Serendipity -- Classical Drug Research -- Protein-Ligand Interactions as the Basis for Drug Action -- Optical Activity and Biological Effect -- Part II: The Search for the Lead Structure. The Classical Search for Lead Structures -- Screening Technologies for Lead Structure Discovery -- Optimization of Lead Structures -- Designing Prodrugs -- Peptidomimetics -- Part III: Experimental and Theoretical Methods. Combinatorics: Chemistry with Big Numbers -- Gene Technology in Drug Research -- Experimental Methods of Structure Determination -- Three-Dimensional Structure of Biomolecules -- Molecular Modeling -- Conformational Analysis -- Part IV: Structure-Activity Relationships and Design Approaches. Pharmacophore Hypotheses and Molecular Comparisons -- Quantitative Structure-Activity Relationships -- From In Vitro to In Vivo: Optimization of ADME and Toxicology Properties -- Protein Modeling and Structure-Based Drug Design -- A Case Study: Structure-Based Inhibitor Design for tRNA-Guanine Transglycosylase -- Part V: Drugs and Drug Action: Successes of Structure-Based Design. How Drugs Act: Concepts for Therapy -- Inhibitors of Hydrolases with an Acyl-Enzyme Intermediate -- Aspartic Protease Inhibitors -- Inhibitors of Hydrolyzing Metalloenzymes -- Transferase Inhibitors -- Oxidoreductase Inhibitors -- Agonists and Antagonists of Nuclear Receptors -- Agonists and Antagonists of Membrane-Bound Receptors -- Ligands for Channels, Pores, and Transporters -- Ligands for Surface Receptors -- Biologicals: Peptides, Proteins, Nucleotides, and Macrolides as Drugs
Summary Unique work on structure-based drug design, covering multiple aspects of drug discovery and development. Fully colored, many images, computer animations of 3D structures (these only in electronic form). Makes the spatial aspects of interacting molecules clear to the reader, covers multiple applications and methods in drug design. Structures by mode of action, no therapeutic areas. Of high relevance for academia and industrial research. Focus on gene technology in drug design, omics-technologies computational methods experimental techniques of structure determinationmultiple examples on mode of action of current drugs, ADME-tox properties in drug development, QSAR methods, combinatorial chemistry, biologicals, ribosome, targeting protein-protein interfaces
Notes Translated from the German
Print version record
Subject Drugs -- Design.
Drug Design
Drugs -- Design
Form Electronic book
ISBN 9783642179075
364217907X
3642179061
9783642179068
Other Titles Wirkstoffdesign. English