Structure-Based Drug Discovery: An Overview (RSC Biomolecular Sciences, Volume 3) - Hardcover

Hardcover

ISBN 10: 0854043519 ISBN 13: 9780854043514

Publisher: Royal Society of Chemistry, 2006

Synopsis

Structure-based drug discovery is a collection of methods that exploits 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 discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this book then describes the essential features of the various methods. Chapters on X-ray crystallography, NMR spectroscopy, and 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 to demonstrate the major impact that structure-based methods have had on discovering drug molecules. 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 the scientific background for the non-expert reader. The book provides 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.

About this title

Book Description:

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, ad 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.

About the Author:

Rod Hubbard has been developing and applying methods to study aspects of protein structure for the past twenty five years. In the 1980s, he developed the molecular modelling and graphics programs QUANTA which is still in use today. From the mid 1980s he helped to build up the Structural Biology Laboratory at York of which he was Director from 1992-2001. During the 1990s, his personal research interests focused on protein-ligand interactions and the structures of therapeutically important proteins such as humanized antibodies, kinases, proteases and nuclear receptors. Since 2001, he has spent part of his time at Vernalis (formerly RiboTargets), establishing structure-based drug discovery. As well as the positions at York and Vernalis, he is also a consultant on structure-based discovery methods to various software, biotechnology and pharmaceutical companies.

About this edition

• Publisher: Royal Society of Chemistry
• Publication date: 2006
• ISBN 10: 0854043519
• ISBN 13: 9780854043514
• Binding: Hardcover
• Edition number: 1
• Number of pages: 278
• Editor: Hubbard Roderick E