Applications of NMR in fragment-based drug design

Isabelle Krimm (1)

1 ISA - Méthodes et criblage RMN pour les molécules bioactives

The role of NMR in drug discovery has been significantly reinforced over recent years, particularly in the field of fragment-based drug design. NMR is one of the most robust methods for screening fragment libraries against therapeutic targets, generating few false positives. The application of ligand-observed and protein-observed experiments (STD, WaterLOGSY, transferred-NOESY and 2D-HSQC) is reviewed in this chapter, showing that NMR is also a powerful method for analysing the 3D structures of protein–fragment complexes.

Mots clés: fragment-based drug design; NMR; screening; 3D structures; protein–fragment complexes

Domaines: Chimie analytique

Isabelle Krimm. Applications of NMR in fragment-based drug design. Howard S. and Abell C. Fragment-based drug discovery, pp.101-125, 2015, 978-1-84973-908-5. ⟨10.1039/9781782620938-00049⟩. ⟨hal-01234649⟩