Journal
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
Volume 64, Issue 8, Pages -Publisher
AMER SOC MICROBIOLOGY
DOI: 10.1128/AAC.00496-20
Keywords
efflux pumps; antibiotic resistance; Pseudomonas aeruginosa; phylogenetic analysis; computer modeling
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Funding
- Cystic Fibrosis Foundation postdoctoral fellowship [DEY18F0]
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Resistance-nodulation-division (RND) efflux pumps are important contributors to bacterial antibiotic resistance. In this study, we combined evolutionary sequence analyses, computational structural modeling, and ligand docking to develop a framework that can explain the known antibiotic substrate selectivity differences between two Pseudomonas aeruginosa RND transporters, MexY and MexB. For efficient efflux, antibiotic substrates must possess a Goldilocks affinity: binding strong enough to allow interaction with transporter but not so tight as to impede movement through the pump.
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