Marmara Üniversitesi Açık Arşiv Sistemi

Binding site feature description of 2-substituted benzothiazoles as potential AcrAB-TolC efflux pump inhibitors in E. coli

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dc.contributor.author Altinkanat Gelmez, Gülşen
dc.contributor.author Guneser Merdan, D.
dc.contributor.author Ufuk Hasdemir, Münevver
dc.date.accessioned 2016-04-12T18:50:53Z
dc.date.available 2016-04-12T18:50:53Z
dc.date.issued 2015
dc.identifier.issn 1062936X
dc.identifier.uri http://tinyurl.com/jy24oay
dc.identifier.uri http://hdl.handle.net/11424/4384
dc.description.abstract The resistance-nodulation-division (RND) family efflux pumps are important in the antibiotic resistance of Gram-negative bacteria. However, although a number of bacterial RND efflux pump inhibitors have been developed, there has been no clinically available RND efflux pump inhibitor to date. A set of BSN-coded 2-substituted benzothiazoles were tested alone and in combinations with ciprofloxacin (CIP) against the AcrAB-TolC overexpressor Escherichia coli AG102 clinical strain. The results indicated that the BSN compounds did not show intrinsic antimicrobial activity when tested alone. However, when used in combinations with CIP, a reversal in the antibacterial activity of CIP with up to 10-fold better MIC values was observed. In order to describe the binding site features of these BSN compounds with AcrB, docking studies were performed using the CDocker method. The performed docking poses and the calculated binding energy scores revealed that the tested compounds BSN-006, BSN-023, and BSN-004 showed significant binding interactions with the phenylalanine-rich region in the distal binding site of the AcrB binding monomer. Moreover, the tested compounds BSN-006 and BSN-023 possessed stronger binding energies than CIP, verifying that BSN compounds are acting as the putative substrates of AcrB. © 2015, Taylor & Francis. en_US
dc.language.iso eng en_US
dc.relation.isversionof 10.1080/1062936X.2015.1106581 en_US
dc.rights info:eu-repo/semantics/restrictedAccess en_US
dc.subject AcrAB-TolC; AcrB docking; benzothiazoles; ciprofloxacin; E. coli AG102; EPI en_US
dc.title Binding site feature description of 2-substituted benzothiazoles as potential AcrAB-TolC efflux pump inhibitors in E. coli en_US
dc.type article en_US
dc.contributor.authorID TR194438 en_US
dc.relation.journal SAR and QSAR in Environmental Research en_US
dc.contributor.department Medical Microbiology Department, Marmara University en_US
dc.identifier.volume 26 en_US
dc.identifier.issue 10 en_US
dc.identifier.startpage 853 en_US
dc.identifier.endpage 871 en_US


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