Fragment-based drug discovery using NMR spectroscopy.
 

Fragment-based drug discovery using NMR spectroscopy.

Related Articles Fragment-based drug discovery using NMR spectroscopy.

J Biomol NMR. 2013 May 18;

Authors: Harner MJ, Frank AO, Fesik SW

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.


PMID: 23686385 [PubMed - as supplied by publisher]



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