Computational approaches in efflux pump inhibitors: current status and prospects

Ekta Rathi, Avinash Kumar, Suvarna G. Kini

Research output: Contribution to journalReview articlepeer-review

10 Citations (Scopus)


Treatment of bacterial infections is currently threatened by the development of antibiotic resistance and a poor pipeline of new antibiotics. Efflux pumps (EPs) are an integral part of the defense machinery of bacteria, preventing the entry of molecules, such as antibiotics, into the intracellular environment and resulting in antibiotic resistance. Therefore, research has focused on the discovery of novel EP inhibitors (EPIs), such as PAβN, D13-9001, and MBX2319. however, there are still no US Food and Drug Administration (FDA)-approved drugs targeting EPs because of the inadequate assimilation of the inhibitors. Here, we discuss the use of computational approaches for molecular mechanistic studies of EPIs to help direct future research.

Original languageEnglish
Pages (from-to)1883-1890
Number of pages8
JournalDrug Discovery Today
Issue number10
Publication statusPublished - 01-10-2020

All Science Journal Classification (ASJC) codes

  • Pharmacology
  • Drug Discovery


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