Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J.
Begnini F, et al. Among authors: danelius e.
J Med Chem. 2022 Feb 24;65(4):3473-3517. doi: 10.1021/acs.jmedchem.1c01975. Epub 2022 Feb 2.
J Med Chem. 2022.
PMID: 35108001
Free PMC article.