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

TY - JOUR

T1 - An overview of bacterial efflux pumps and computational approaches to study efflux pump inhibitors

AU - Jamshidi, Shirin

AU - Sutton, Mark

AU - Rahman, Khondaker Mirazur

PY - 2016/1/29

Y1 - 2016/1/29

N2 - 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.

AB - 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.

U2 - 10.4155/fmc.15.173

DO - 10.4155/fmc.15.173

M3 - Literature review

SN - 1756-8919

VL - 8

SP - 195

EP - 210

JO - Future Medicinal Chemistry

JF - Future Medicinal Chemistry

IS - 2

ER -