Structure - Based Drug Discovery

Contents: Preface. 1. Five years of increasing structural biology throughput - a retrospective analysis/Enrique Abola, Dennis D. Carlton, Peter Kuhn and Raymond C. Stevens. 2. Protein production for structural genomics strategies for the next phase/Par Nordlund, Tobias Cornvik and Helena Berglund. 3. Introduction to fragment screening/Andrew R. Leach and Michael M. Hann. 4. Fragment-based NMR screening in lead discovery/Christopher A. Lepre and Jonathan M. Moore. 5. Fragment-based screening by x-ray crystallography/Valerio Berdini, Marc O\'Reilly, Miles S. Congreve and Ian J. Tickle. 6. Scaffold-based drug discovery/Kam Y.J. Zhang, Michael V. Milburn and Dean R. Artis. 7. Biophysical methods: mechanism of action studies/Chun-wa Chung and Peter N. Lowe. 8. Illustration of current challenges in Molecular docking: an application of docking, and virtual screening to Thymidine Kinase/Marcel L. Verdonk, Richard D. Taylor, Gianni Chessari and Christopher W. Murray. 9. Scoring functions : from free-energies of binding to enrichment in virtual screening/Luca A. Fenu, Richard A. Lewis, Andrew C. Good, Michael Bodkin and Jonathan W. Essex. Subject index.

"Discovering new medicines is becoming more challenging and the pharmaceutical industry is looking to new technologies to help in this mission. Structure-based drug discovery methods have been transformed in the last 5-10 years and are now having a major impact on the discovery of new drugs. Some of the most exciting developments in the field, such as fragment-based methods, are described in this book.

Structure-based drug discovery describes the latest developments in technologies that can be used to obtain the 3-D structures including the high profile structural genomics approaches being used worldwide. The use of 3-D protein structures in new, fragment-based, approaches to drug discovery are described in some detail. This book includes experimental approaches using X-ray crystallography and NMR for fragment-based screening as well as other biophysical methods for studying protein/ligand interactions. In addition, developments in computation chemistry methodology are covered together with an assessment of practical applications.

This book is an invaluable resource for medicinal chemists in industry, computational chemists and drug discovery scientists."