Integration of fragment screening and library design.
With more than 10 years of practical experience and theoretical analysis, fragment-based drug discovery (FBDD) has entered the mainstream of the pharmaceutical and biotech industries. An array of biophysical techniques has been used to detect the weak interaction between a fragment and the target. Each technique presents its own requirements regarding the fragment collection and the target; therefore, in order to optimize the potential of FBDD, the nature of the target should be a driving factor for simultaneous development of both the library and the screening technology. A roadmap is now available to guide fragment-to-lead evolution when structural information is available. The next challenge is to apply FBDD to targets for which high-resolution structural information is not available.
Leiden Institute of Chemistry, Leiden University, The Netherlands. g.siegal@chem.leidenuniv.nl
Gregg
G
Siegal
Eiso
E
Ab
Jan
J
Schultz
D003198:Computer Simulation; D004353:Drug Evaluation, Preclinical / Q000639:trends; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D010600:Pharmacology; D054852:Small Molecule Libraries; D013329:Structure-Activity Relationship
D004364:Pharmaceutical Preparations; D054852:Small Molecule Libraries