Exploring the druggability of the binding site of aurovertin, an exogenous allosteric inhibitor of FOF1-ATP synthase

Exploring the druggability of the binding site of aurovertin, an exogenous allosteric inhibitor of FOF1-ATP synthase

In addition to playing a central role in the mitochondria as the main producer of ATP, FOF1-ATP synthase performs diverse key regulatory functions in the cell membrane. Its malfunction has been linked to a growing number of human diseases, including hypertension, atherosclerosis, cancer, and some ne...

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Bibliographic Details
Main Authors: Luis Fernando Cofas-Vargas, Paola Mendoza-Espinosa, Luis Pablo Avila-Barrientos, Diego Prada-Gracia, Héctor Riveros-Rosas, Enrique García-Hernández
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-10-01
Series:Frontiers in Pharmacology
Subjects:
FOF1-ATP synthase inhibition
conformational dynamics
solvent sites
binding free energy
hot spot binding residues
bacterial pathogens
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2022.1012008/full

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https://www.frontiersin.org/articles/10.3389/fphar.2022.1012008/full

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