An overview of bacterial efflux pumps and computational approaches to study efflux pump inhibitors

Shirin Jamshidi, John Sutton, Khondaker M. Rahman

Research output: Contribution to journalReview articlepeer-review

9 Citations (Scopus)

Abstract

Micro-organisms express a wide range of transmembrane pumps known as multidrug efflux pumps that improve the micro-organism's ability to survive in severe environments and contribute to resistance against antibiotic and antimicrobial agents. There is significant interest in developing efflux inhibitors as an adjunct to treatment with current and next generation of antibiotics. A greater understanDing of drug recognition and transport by multidrug efflux pumps is needed to develop clinically useful inhibitors, given the breadth of molecules that can be effluxed by these systems. We summarize some structural and functional data that could provide insights into the inhibition of transport mechanisms of these intricate molecular nanomachines with a focus on the advances in computational approaches.

Original languageEnglish
Pages (from-to)195-210
Number of pages16
JournalFuture Medicinal Chemistry
Volume8
Issue number2
DOIs
Publication statusPublished - Feb 2016

Keywords

  • antimicrobial resistance
  • bacterial pathogenicity
  • computational approaches
  • efflux pump inhibitor
  • molecular dynamics
  • multidrug efflux pump simulation
  • tripartite assembly

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