Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1–Nrf2 Protein–Protein Interaction

[Image: see text] 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 nanomolar Keap1 inhibitors obtained from a...

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Detalles Bibliográficos
Autores principales: Begnini, Fabio, Geschwindner, Stefan, Johansson, Patrik, Wissler, Lisa, Lewis, Richard J., Danelius, Emma, Luttens, Andreas, Matricon, Pierre, Carlsson, Jens, Lenders, Stijn, König, Beate, Friedel, Anna, Sjö, Peter, Schiesser, Stefan, Kihlberg, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8883477/
https://www.ncbi.nlm.nih.gov/pubmed/35108001
http://dx.doi.org/10.1021/acs.jmedchem.1c01975

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8883477/
https://www.ncbi.nlm.nih.gov/pubmed/35108001
http://dx.doi.org/10.1021/acs.jmedchem.1c01975

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