Drug Design [electronic resource] : Methodology, Concepts, and Mode-of-Action / edited by Gerhard Klebe.

Part I  Fundamentalsin Drug Research -- 1. Drug Research Yesterday, Today and Tomorrow -- 2. The Role of Serendipityin Drug Research -- 3. Classical Drug Research -- 4. Protein–Ligand Interactionsas the Basis for Drug Action -- 5. Optical Activity and Biological Effects -- Part II Discovery and Optimizationof Lead Compounds --  6. Screeningfor Lead Structures -- 7.  Screening Technologies for LeadDiscovery -- 8. Optimizationof Lead Structures -- 9. Designingprodrugs -- 10. Peptidomimetics -- Part III  Experimental and Theoretical Methods -- 11. Combinatorics: Chemistry With Big Numbers -- 12. Gene Technology in drug research --  13. Experimental Methods of Structure Determination -- 14. The Spatial Structure of Biomolecules -- 15. Molecular Modelling -- 16. Conformational Analysis -- Part IV Structure–Activity Relationships and Design Approaches -- 17.Pharmacophore Hypothesis and Molecular Comparisons -- 18. Quantitative Structure–ActivityRelationships -- 19.  From in vitro to in vivo:Optimization of ADME-Tox Properties -- 20. ProteinModeling and Structure-BasedDrug Design -- 21.  ACase Study: Structure-Based Inhibtor Design for tRNA-Guanine Transglycosylase -- Part V. Drugs and drug action: Successes of stucture-based design -- 22. Howdrugs act: Concepts for therapy -- 23. Inhibitors of hydrolases With an acyl-enzymeintermediate -- 24. Asparticprotease inhibitors -- 25. Inhibitorsof hydrolysing metalloenzymes -- 26. Inhibitorsof transferases -- 27. Inhibitors ofoxidoreductases -- 28.  Agonists and antagonistsof nuclear receptors -- 29. Agonists and antagonists of membrane-bound -- 30. Ligands forchannels, pores and transporters -- 31. Ligands for surfacereceptors -- 32. Biologicals: Peptides, proteins, nucleotidesand macrolides as drugs.

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.