NMR-based screening: a powerful tool in fragment-based drug discovery

摘要

NMR spectroscopy has evolved into an important method for screening ligand mixtures for binders to medicinal relevant protein or nucleic acid targets. A number of new technologies have been established for this purpose in the last decade; the most efficient ones are STD, waterLOGSY, and the screening of fluorine-containing libraries. Moreover, NMR spectroscopy can assist the hit validation process and provide structural information on the ligand-target complex. To a large extent, NMR is, complementary to other techniques. The ability to detect weak binders under quasi-natural conditions is a particular advantage, making it ideally suited for the fragment-based approach for developing lead structures.