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Drug Design: Methodology, Concepts, and Mode-of-Action de Gerhard Klebe

Drug Design: Methodology, Concepts, and Mode-of-Action

Autor Gerhard Klebe
en Limba Engleză Hardback – 10 iul 2013
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.
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Specificații

ISBN-13: 9783642179068
ISBN-10: 3642179061
Pagini: 880
Ilustrații: XV, 901 p. 496 illus., 333 illus. in color.
Dimensiuni: 155 x 235 x 55 mm
Greutate: 1.47 kg
Ediția:2013
Editura: Springer Berlin, Heidelberg
Colecția Springer
Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

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.

Notă biografică

Well-known author has won a prize for the German edition of this work.

Caracteristici

Unique reference work on the subject of drug design Full colours throughout Intelligibly written and illustrated containing over 100 computer graphics Including an index of about 5,000 items

Textul de pe ultima copertă

This English-language textbook, based on the successful German edition 'Wirkstoffdesign', brings the subject of drug design back to the cutting edge of research. The reader learns about new methods in genetic engineering and the expanded range of structural biological methods. Especially in the last 10 years, many complex target structures such as G-protein coupled receptors or ion channels have been elucidated by using these methods. The reader learns how these long-sought complex structures with classical drugs look like and how the therapeutic effect is achieved.
This textbook is aimed at students of pharmacy, chemistry and the life sciences, but also at career changers and medicinal chemists in research and development departments of the pharmaceutical industry. Conceptually, it is very different from classical textbooks on pharmaceutical chemistry. It focuses on the path to a new drug substance. The selection of case studies is based on didactic aspects and attempts to give a broad overview of methods and strategies without forgetting to look back at the beginnings of this field of work. Thus, the arc spans from the history of drug research, the mechanisms of action of drugs and the methods for lead structure search and optimisation to structure determination methods, modelling, molecular dynamics and QSAR methods to structure- and computer-aided design.
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