Klebe G. Drug Design: Methodology, Concepts, and Mode-of-Action

Springer, 2013. — 918 p.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 determination multiple examples on mode of action of current drugs, ADME-tox properties in drug development, QSAR methods, combinatorial chemistry, biologicals, ribosome, targeting protein-protein interfaces.Fundamentals in Drug Research
Drug Research Yesterday, Today and Tomorrow
The Role of Serendipity in Drug Research
Classical Drug Research
Protein–Ligand Interactionsas the Basis for Drug Action
Optical Activity and Biological Effects
Discovery and Optimization of Lead Compounds
Screeningfor Lead Structures
Screening Technologies for LeadDiscovery
Optimization of Lead Structures
Designing pro drugs
Peptidomimetics
Experimental and Theoretical Methods
Combinatorics: Chemistry With Big Numbers
Gene Technology in drug research
Experimental Methods of Structure Determination
The Spatial Structure of Biomolecules
Molecular Modeling
Conformational Analysis
Structure–Activity Relationships and Design Approaches
Pharmacophore Hypothesis and Molecular Comparisons
Quantitative Structure–ActivityRelationships
From in vitro to in vivo:Optimization of ADME-Tox Properties
ProteinModeling and Structure-BasedDrug Design
ACase Study: Structure-Based Inhibtor Design for tRNA-Guanine Transglycosylase
Drugs and drug action: Successes of stucture-based design
How drugs act: Concepts for therapy
Inhibitors of hydrolases with an acyl-enzymeintermediate
Asparticprotease inhibitors
Inhibitorsof hydrolysing metalloenzymes
Inhibitorsof transferases
Inhibitors ofoxidoreductases
Agonists and antagonists of nuclear receptors
Agonists and antagonists of membrane-bound
Ligands for channels, pores and transporters
Ligands for surfacereceptors
Biologicals: Peptides, proteins, nucleotides and macrolides as drugs.