Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1–Nrf2 Protein–Protein Interaction
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DOI: 10.1021/acs.jmedchem.1c01975
Abstract: Upregulation of the transcription factor Nrf2 by inhibition of the interaction with its negative regulator Keap1 constitutes an opportunity for the treatment of disease caused by oxidative stress. We report a structurally unique series of… read more here.
Keywords: interaction; keap1; binding site; hydration flexibility ... See more keywords