19F NMR viewed through two different lenses: ligand-observed and protein-observed 19F NMR applications for fragment-based drug discovery. Issue 5 (16th July 2021)

• Record Type: Journal Article
• Authors: Buchholz, Caroline R.; Pomerantz, William C. K.
• Is Part Of: RSC chemical biology. Volume 2:Issue 5(2021)
• Page Start: 1312
• Page End: 1330
• Publication Date: 2021-07-16
• Subjects: 572
• DOI: 10.1039/d1cb00085c
• Languages: English
• ISSNs: 2633-0679

Abstract

Abstract : 19 F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based screens. Abstract : 19 F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the general absence of fluorine in biological settings, and its ready incorporation into both small molecules and biopolymers, has enabled multiple applications of 19 F NMR using labeled small molecules and proteins in biophysical, biochemical, and cellular experiments. This review will cover developments in ligand-observed and protein-observed 19 F NMR experiments tailored towards drug discovery with a focus on fragment screening. We also cover the key advances that have furthered the field in recent years, including quantitative, structural, and in-cell methodologies. Several case studies are described for each application to highlight areas for innovation and to further catalyze new NMR developments for using this versatile nucleus.