Abstract
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.
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Acknowledgements
The authors would like to acknowledge the Pfizer SK2 and AMPK teams for providing protein NMR samples used in this work. R.H. and J.M.W. would like to thank the Pfizer Structural and Molecular Sciences group for support with the SK2 and AMPK FBDD campaigns. All work presented here was funded by Pfizer R&D.
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All research presented here was funded by Pfizer R&D.
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R.H., K.A.F., B.L.K. and J.M.W. were full-time employees and shareholders of Pfizer R&D at the time the research presented here was conducted.
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Horst, R., Farley, K.A., Kormos, B.L. et al. NMR spectroscopy: the swiss army knife of drug discovery. J Biomol NMR 74, 509–519 (2020). https://doi.org/10.1007/s10858-020-00330-0
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DOI: https://doi.org/10.1007/s10858-020-00330-0