NMR spectroscopy: the swiss army knife of drug discovery

Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool within drug discovery over the last two decades. While traditionally being used by medicinal chemists for small molecule structure elucidation, it can also be a valuable tool for the identification of small molecules that...

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Bibliographic Details
Published in:Journal of biomolecular NMR 2020-11, Vol.74 (10-11), p.509-519
Main Authors: Horst, Reto, Farley, Kathleen A., Kormos, Bethany L., Withka, Jane M.
Format: Article
Language:English
Subjects:
Biochemistry
Biological and Medical Physics
Biophysics
Chemists
Drug discovery
Knives
Magnetic resonance spectroscopy
Molecular structure
NMR
NMR spectroscopy
Nuclear magnetic resonance
Optimization
Physics
Physics and Astronomy
Spectroscopy
Spectroscopy/Spectrometry
Spectrum analysis
Therapeutic targets
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Summary:Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool within drug discovery over the last two decades. While traditionally being used by medicinal chemists for small molecule structure elucidation, it can also be a valuable tool for the identification of small molecules that bind to drug targets, for the characterization of target–ligand interactions and for hit-to-lead optimization. Here, we describe how NMR spectroscopy is integrated into the Pfizer drug discovery pipeline and how we utilize this approach to identify and validate initial hits and generate leads.
ISSN:0925-2738
1573-5001
DOI:10.1007/s10858-020-00330-0