Fragment-based drug discovery using NMR spectroscopy.
AUTHORS
Harner
MJMary J ,
Frank
AOAndreas O ,
Fesik
SWStephen W .
Journal of biomolecular NMR. 2013 6 ; 56(2).
65-75
- PMID: 23686385[PubMed].
- PMCID: PMC3699969.
- NIHMSID: NIHMS482117
ABSTRACT
Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool for fragment-based drug discovery over the last two decades. While NMR has been traditionally used to elucidate the three-dimensional structures and dynamics of biomacromolecules and their interactions, it can also be a very valuable tool for the reliable identification of small molecules that bind to proteins and for hit-to-lead optimization. Here, we describe the use of NMR spectroscopy as a method for fragment-based drug discovery and how to most effectively utilize this approach for discovering novel therapeutics based on our experience.