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ISBNSpecification
  SPECIFICATION
STRUCTURE-BASED DRUG DISCOVERY (hb)2006
Author: RODERICK E. HUBBARD
ISBN: 0854043519
Year: 2006
Publisher: RSC PUBLISHING
Category: PHARMACOLOGY
Edition: 1
Format: Hard Cover
Language: English
Pages: 261
 ABOUT THE TITLE
Structure-Based Drug Discovery is a collection of methods which exploit the ability to determine and analyse the three-dimensional structure of biological molecules. These methods have been adopted and enhanced to improve the speed and quality of drug discovery. After an introductory overview of the principles and applications of structure-based methods in drug discovery the essential features of the various methods are explored. Chapters on X-ray crystallography NMR spectroscopy computational chemistry and molecular modelling describe how these particular techniques have been enhanced to support rational drug discovery with discussions on developments such as high-throughput structure determination probing protein-ligand interactions by NMR spectroscopy virtual screening and fragment-based drug discovery. The concluding chapters complement the overview of methods by presenting case histories which demonstrate the major impact that structure-based methods have had on the drug discovery process. Written by international experts from industry and academia this comprehensive introduction to the methods and practice of structure-based drug discovery not only illustrates leading-edge science but also provides useful scientific background for the non-expert reader. The book presents a balanced appraisal of what structure-based methods can and cannot contribute to drug discovery. It will appeal to industrial and academic researchers in pharmaceutical sciences medicinal chemistry and chemical biology as well as providing an insight into the field for recent graduates in the biomolecular sciences.
AUTHOR:
RODERICK E HUBBARD
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 TABLE OF CONTENTS
1 3D structure and the drug discovery process by Roderick E. Hubbard 1
2 Structure determination - crystallography for structure-based drug discovery by David G. Brown and Maria M. Flocco 32
3 Molecular modelling by Xavier Barril and Robert Soliva 54
4 Applications of NMR in structure-based drug discovery by Ben Davis and Julia Hubbard 97
5 Fragment screening : an introduction by Andrew R. Leach and Michael M. Hann and Jeremy N. Burrows and Ed Griffen 142
6 Iterative structure-based screening of virtual chemical libraries and factor Xa : finding the orally available antithrombotic candidate LY517717 by John W. Liebeschuetz and Stuart D. Jones and Michael R. Wiley and Steven C. Young 173
7 Anti-influenza drugs from neuraminidase inhibitors by Peter Colman 193
8 Isoform specificity : the design of estrogen receptor-[beta] selective compounds by Eric S. Manas and Richard E. Mewshaw and Heather A. Harris and Michael S. Malamas
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