Antibacterial azole derivatives: Antibacterial activity, cytotoxicity, and in silico mechanistic studies

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dc.authoridSARI, SUAT/0000-0002-8248-4218
dc.authoridBozbey Merde, İrem/0000-0002-9290-938X
dc.authoridOzdemir, Zenyep/0000-0003-4559-2305
dc.authoridKarakurt, Arzu/0000-0003-2209-0871
dc.authoriddogan, inci selin/0000-0003-4949-1747
dc.authoridSARI, SUAT/0000-0002-8248-4218
dc.authoridAVCI, Ahmet/0000-0001-6311-5399
dc.authorwosidKART, DIDEM/I-8446-2013
dc.authorwosidSARI, SUAT/JCD-8070-2023
dc.authorwosidBozbey Merde, İrem/HCI-8239-2022
dc.authorwosidOzdemir, Zenyep/AAJ-6384-2020
dc.authorwosidKarakurt, Arzu/ABH-9340-2020
dc.authorwosiddogan, inci selin/AAR-4150-2020
dc.authorwosidSARI, SUAT/A-5249-2017
dc.contributor.authorSari, Suat
dc.contributor.authorAvci, Ahmet
dc.contributor.authorKocak, Ebru
dc.contributor.authorKart, Didem
dc.contributor.authorSabuncuoglu, Suna
dc.contributor.authorDogan, Inci Selin
dc.contributor.authorOzdemir, Zeynep
dc.date.accessioned2024-08-04T20:48:45Z
dc.date.available2024-08-04T20:48:45Z
dc.date.issued2020
dc.departmentİnönü Üniversitesien_US
dc.description.abstractAzole antifungal drugs are commonly used in antifungal chemotherapy. Antibacterial effects of some topical antifungals, such as miconazole and econazole, have lately been revealed, which suggests a promising venue in antimicrobial chemotherapy. In this study, we tested an in-house azole collection with antifungal properties for their antibacterial activity to identify dual-acting hits using the broth microdilution method. The in vitro screen yielded a number of potent derivatives against gram-positive bacteria,Enterococcus faecalisandStaphylococcus aureus.Compound73's minimum inhibitory concentration (MIC) value less than 1 mu g/ml againstS. aureus; however, none of the compounds showed noteworthy activity against methicillin-resistantS. aureus(MRSA). All the active compounds were found safe at their MIC values against the healthy fibroblast cells in the in vitro cytotoxicity test. Molecular docking studies of the most active compounds using a set of docking programs with flavohemoglobin (flavoHb) structure, the proposed target of the azole antifungals with antibacterial activity, presented striking similarities regarding the binding modes and interactions between the tested compounds and the antifungal drugs with crystallographic data. In addition to being noncytotoxic, the library was predicted to be drug-like and free of pan-assay interference compounds (PAINS). As a result, the current study revealed several potential azole derivatives with both antifungal and antibacterial activities. Inhibition of bacterial flavoHb was suggested as a possible mechanism of action for the title compounds.en_US
dc.description.sponsorshipHacettepe University [014 D09 301 001-703, TDK-2017-14965, TPT-2018-16666, TPT-2015-6794]; Scientific and Technological Research Council of Turkey [113S060, 114S862, 115S387]en_US
dc.description.sponsorshipHacettepe University, Grant/Award Numbers: 014 D09 301 001-703, TDK-2017-14965, TPT-2018-16666, TPT-2015-6794; Scientific and Technological Research Council of Turkey, Grant/Award Numbers: 113S060, 114S862, 115S387en_US
dc.identifier.doi10.1002/ddr.21721
dc.identifier.endpage1036en_US
dc.identifier.issn0272-4391
dc.identifier.issn1098-2299
dc.identifier.issue8en_US
dc.identifier.pmid33216362en_US
dc.identifier.scopus2-s2.0-85088801247en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1026en_US
dc.identifier.urihttps://doi.org/10.1002/ddr.21721
dc.identifier.urihttps://hdl.handle.net/11616/99432
dc.identifier.volume81en_US
dc.identifier.wosWOS:000553779500001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofDrug Development Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectantibacterial azolesen_US
dc.subjectcytotoxicityen_US
dc.subjectflavohemoglobinen_US
dc.titleAntibacterial azole derivatives: Antibacterial activity, cytotoxicity, and in silico mechanistic studiesen_US
dc.typeArticleen_US

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