Synthesis and investigation of binding interactions of 1,4-benzoxazine derivatives on topoisomerase IV in Acinetobacter baumannii

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dc.authoridAKI, Esin/0000-0002-1560-710X
dc.authoridYilmaz Ozguven, Serap/0000-0002-6458-2658
dc.authorwosidÖkten, Suzan/HJH-6316-2023
dc.authorwosidOkten, Suzan/HGV-1334-2022
dc.authorwosidONURDAG, Fatma KAYNAK/T-2518-2017
dc.authorwosidAKI, Esin/U-4641-2019
dc.authorwosidYilmaz Ozguven, Serap/G-1553-2014
dc.contributor.authorYilmaz, S.
dc.contributor.authorYalcin, I.
dc.contributor.authorOkten, S.
dc.contributor.authorOnurdag, F. K.
dc.contributor.authorAki-Yalcin, E.
dc.date.accessioned2024-06-12T10:50:23Z
dc.date.available2024-06-12T10:50:23Z
dc.date.issued2017
dc.departmentTrakya Üniversitesien_US
dc.description.abstractAcinetobacter baumannii has emerged as an important pathogen for nosocomial infections having high morbidity and mortality. This pathogen is notorious for antimicrobial resistance to many common antimicrobial agents including fluoroquinolones, which have both intrinsic and acquired resistance mechanisms. Fluoroquinolones targeting the bacterial topoisomerase II (DNA gyrase and Topo IV) show potent broad-spectrum antibacterial activity by the stabilization of the covalent enzyme-DNA complex. However, their efficacy is now being threatened by an increasing prevalence of resistance. Fluoroquinolones cause stepwise mutations in DNA gyrase and Topo IV, having alterations of their binding sites. Furthermore, the water-Mg+2 bridge, which provides enzyme-fluoroquinolone interactions, has a significant role in resistance. In this study, 13 compounds were synthesized as 1,4-benzoxazine derivatives which act as bacterial topoisomerase II inhibitors and their antibacterial activities were determined against multi-drug resistant Acinetobacter strains which have ciprofloxacin (CIP) resistant and GyrA mutation. Afterwards we performed docking studies with Topo IV (pdb:2XKK) of these compounds to comprehend their binding properties in Discovery Studio 3.5. The results of this study show significant conclusions to elucidate the resistance mechanism and lead to the design of new antibacterial agents as bacterial topoisomerase II inhibitors.en_US
dc.identifier.doi10.1080/1062936X.2017.1404490
dc.identifier.endpage956en_US
dc.identifier.issn1062-936X
dc.identifier.issn1029-046X
dc.identifier.issue11en_US
dc.identifier.pmid29206501en_US
dc.identifier.scopus2-s2.0-85038354121en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage941en_US
dc.identifier.urihttps://doi.org/10.1080/1062936X.2017.1404490
dc.identifier.urihttps://hdl.handle.net/20.500.14551/17986
dc.identifier.volume28en_US
dc.identifier.wosWOS:000417603700005en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofSar And Qsar In Environmental Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAcinetobacter Baumanniien_US
dc.subjectBenzoxazineen_US
dc.subjectCiprofloxacinen_US
dc.subjectDNA Gyraseen_US
dc.subjectMolecular Dockingen_US
dc.subjectTopoisomerase IVen_US
dc.subjectEfflux Pump Inhibitorsen_US
dc.subjectIia Topoisomerasesen_US
dc.subjectDna Cleavageen_US
dc.subject2-Substituted Benzothiazolesen_US
dc.subjectPharmacophore Generationen_US
dc.subjectAntimicrobial Activityen_US
dc.subjectGyraseen_US
dc.subjectMechanismen_US
dc.subjectAnalogsen_US
dc.titleSynthesis and investigation of binding interactions of 1,4-benzoxazine derivatives on topoisomerase IV in Acinetobacter baumanniien_US
dc.typeArticleen_US

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