Multidrug binding properties of the AcrB efflux pump characterized by molecular dynamics simulations

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 50, 2012, Pages 20637-20642

  Vargiu, Attilio V ^a,b   Nikaido, Hiroshi ^b  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Bacterial drug efflux pump; Drug binding pocket; Efflux inhibitors

Indexed keywords

1 (1 NAPHTYLMETHYL)PIPERAZINE; 2 NAPHTHYLAMINE; ANTIBIOTIC AGENT; CEFALOTIN; CHLORAMPHENICOL; CIPROFLOXACIN; ERYTHROMYCIN; ETHIDIUM; GLUCOSE; KANAMYCIN A; MINOCYCLINE; NITROCEFIN; OXACILLIN; PHENYLALANYLMINOCYCLINE ARGININE BETA NAPHTHYLAMIDE; PIPERAZINE DERIVATIVE; TAUROCHOLIC ACID; UNCLASSIFIED DRUG; ACRB PROTEIN, E COLI; ESCHERICHIA COLI PROTEIN; LIGAND; MULTIDRUG RESISTANCE PROTEIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATIONAL TRANSITION; DRUG BINDING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; ESCHERICHIA COLI; METABOLISM; MULTIDRUG RESISTANCE; PHYSIOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION; VALIDATION STUDY;

BINDING SITES; DRUG RESISTANCE, MULTIPLE, BACTERIAL; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MULTIDRUG RESISTANCE-ASSOCIATED PROTEINS; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 84874431455     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1218348109     Document Type: Article

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