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Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters

Water-mediated interactions play key roles in drug binding. In protein sites with sparse polar functionality, a small-molecule approach is often viewed as insufficient to achieve high affinity and specificity. Here we show that small molecules can enable potent inhibition by targeting key waters. Th...

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Detalhes bibliográficos
Publicado no:J Am Chem Soc
Main Authors: Thomaston, Jessica L., Polizzi, Nicholas F., Konstantinidi, Athina, Wang, Jun, Kolocouris, Antonios, DeGrado, William F.
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6497056/
https://ncbi.nlm.nih.gov/pubmed/30165017
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.8b06741
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