Fragment-based drug discovery using NMR spectroscopy
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- Harner, M.J., Frank, A.O. & Fesik, S.W. J Biomol NMR (2013) 56: 65. doi:10.1007/s10858-013-9740-z
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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.