Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump.

ABSTRACT: Transporters of the resistance-nodulation-cell division (RND) superfamily of proteins are the dominant multidrug efflux power of Gram-negative bacteria. The major RND efflux pump of Pseudomonas aeruginosa is MexAB-OprM, in which the inner membrane transporter MexB is responsible for the recognition and binding of compounds. The high importance of this pump in clinical antibiotic resistance made it a subject of intense investigations and a promising target for the discovery of efflux pump inhibitors. This study is focused on a series of peptidomimetic compounds developed as effective inhibitors of MexAB-OprM. We performed multi-copy molecular dynamics simulations, machine-learning (ML) analyses, and site-directed mutagenesis of MexB to investigate interactions of MexB with representa

SUBMITTER: Gervasoni S 

PROVIDER: S-EPMC10470492 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature