Structure-Based Drug Discovery

  • Harren Jhoti
  • Andrew R. Leach

Table of contents

  1. Front Matter
    Pages I-XII
  2. Enrique Abola, Dennis D. Carlton, Peter Kuhn, Raymond C. Stevens
    Pages 1-26
  3. Pär Nordlund, Tobias Cornvik, Helena Berglund
    Pages 27-48
  4. Andrew R. Leach, Michael M. Hann
    Pages 49-72
  5. Christopher A. Lepre, Jonathan M. Moore
    Pages 72-98
  6. Valerio Berdini, Marc O’Reilly, Miles S. Congreve, Ian J. Tickle
    Pages 99-127
  7. Kam Y. J. Zhang, Michael V. Milburn, Dean R. Artis
    Pages 129-153
  8. Chun-Wa Chung, Peter N. Lowe
    Pages 155-199
  9. Marcel L. Verdonk, Richard D. Taylor, Gianni Chessari, Christopher W. Murray
    Pages 201-221
  10. Luca A. Fenu, Richard A. Lewis, Andrew C. Good, Michael Bodkin, Jonathan W. Essex
    Pages 223-245
  11. Back Matter
    Pages 247-252

About this book


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 computational chemistry methodology are covered together with an assessment of practical applications.

This book is an invaluable resource for medicinal chemists in industry, computational chemists, drug discovery scientists and postgraduates in chemistry or structural biology.


Computational chemistry Drug discovery Fragment - based NMR Protein structure Structural genomics X-ray crystallography biology chemistry

Authors and affiliations

  • Harren Jhoti
    • 1
  • Andrew R. Leach
    • 2
  1. 1.Astex TherapeuticsCambridgeUK
  2. 2.GlaxoSmithklineStevenageUK

Bibliographic information