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Fragment-based drug discovery is a faster, cheaper, smarter way to do drug discovery. Emphasizing practical guidance, with procedures, case studies, practical tips, and contributions from industry, Fragment-Based Drug Discovery is a comprehensive guide to the techniques and practice of using fragments in drug screening. Featuring contributions from industry experts who have successfully set up an industrial fragment-based research program, this text offers essential advice to pharmaceutical and medicinal chemistry researchers, research directors, and managers in pharmaceutical and biotechnology companies.

 

Aus dem Inhalt

1. Introduction to Fragment based Drug Discovery (Tim Mitchell and Mike Cherry).

 

2. Building the Perfect Beast: Designing a Fragment Process to Fit Your Needs (Edward Zartler and Michael Shapiro).

 

3. Assembling a Fragment Library (Mark Brewer, Osamu Ichihara, Christian Kirchhoff, Markus Schade, and Mark Whittaker).

 

4. The Practical Aspects of Using NMR in Fragment Based Screening (Johan Schultz).

 

5. Application of Protein-Ligand NOE Matching to the Rapid Evaluation of Fragment Binding Poses (William J. Metzler, Brian L. Claus, Patricia McDonnell, Stephen R. Johnson, Valentina Goldfarb, Malcolm E. Davis, Luciano Mueller, and Keith L. Constantine).

 

6. Target Immobilized NMR Screening: Validation and Extension to Membrane Proteins (Virginie Früh, Robert J. Heetebrij and Gregg Siegal).

 

7. In situ fragment-based medicinal chemistry: screening by mass spectrometry (Sally-Ann Poulsen and Gary H. Kruppa).

 

8. Computational approaches to fragment and substructure discovery and evaluation (Eelke van der Horst and Adriaan P. IJzerman).

 

9. In Silico Design Chapter (Bradley Feuston, M. Katharine Holloway, Georgia McGaughey and J. Chris Culberson).

 

10. Fragment-based lead discovery using covalent capture methods (Stig K. Hansen and Daniel A. Erlanson).

 

11. Identification of high affinity beta-secretase inhibitors using fragment-based lead generation.

 

Jeffrey S. Albert and Philip D. Edwards.