Fragment-Based Drug Discovery

Fragment-based drug discovery (FBDD) is a new paradigm in drugdiscovery that utilizes very small molecules - fragments of largermolecules. It is a faster, cheaper, smarter way to do drugdiscovery, as shown by the number of pharmaceutical companies thathave embraced this approach and the biotechnology companies who usefragments as their sole source of drug discovery.Fragment-Based Drug Discovery: A Practical Approach is aguide to the techniques and practice of using fragments in drugscreening. The emphasis is on practical guidance, with procedures,case studies, practical tips, and contributions from industry.Topics covered include:* an introduction to fragment based drug discovery, whyusing fragments is a more efficient process than predominantmodels, and what it means to have a successful FBDD effort.* setting up an FBDD project* library building and production* NMR in fragment screening and follow up* application of protein-ligand NOE matching to the rapidevaluation of fragment binding poses* target immobilized NMR screening: validation and extension tomembrane proteins* in situ fragment-based medicinal chemistry: screening bymass spectrometry* computational approaches to fragment and substructure discoveryand evaluation* virtual fragment scanning: current trends, applicationsand web based tools* fragment-based lead discovery using covalent capturemethods* case study from industry: the identification of high affinitybeta-secretase inhibitors using fragment-based lead generationWith contributions from industry experts who have successfullyset up an industrial fragment-based research program,Fragment-Based Drug Discovery: A Practical Approach offersessential advice to anyone embarking on drug discovery usingfragments and those looking for a new approach to screening fordrugs.