Exploring the druggability of the binding site of aurovertin, an exogenous allosteric inhibitor of F_OF₁-ATP synthase.

ABSTRACT: In addition to playing a central role in the mitochondria as the main producer of ATP, F_OF₁-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 neurodegenerative, autoimmune, and aging diseases. Furthermore, inhibition of this enzyme jeopardizes the survival of several bacterial pathogens of public health concern. Therefore, F_OF₁-ATP synthase has emerged as a novel drug target both to treat human diseases and to combat antibiotic resistance. In this work, we carried out a computational characterization of the binding sites of the fungal antibiotic aurovertin in the bovine F₁ subcomple

SUBMITTER: Cofas-Vargas LF 

PROVIDER: S-EPMC9615146 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature