Structure-Based Drug Discovery : An Overview

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.