Synthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexes

dc.contributor.authorArı, Erkan
dc.contributor.authorŞahin, Neslihan
dc.contributor.authorÜstün, Elvan
dc.contributor.authorDündar, Muhammed
dc.contributor.authorKarcı, Hüseyin
dc.contributor.authorÖzdemir, İlknur
dc.contributor.authorKoç, Ahmet
dc.contributor.authorGürbüz, Nevin
dc.contributor.authorÖzdemir, İsmail
dc.date.accessioned2024-03-06T06:14:59Z
dc.date.available2024-03-06T06:14:59Z
dc.date.issued2023tr
dc.departmentEğitim Bilimleri Enstitüsütr
dc.description.abstractIn this study, a series of N-functionalized benzimidazole silver(I) complexes were prepared and characterized by FT-IR, 1H, 13C{1H} NMR spectroscopy, and elemental analysis. Synthesized N-benzylbenzimidazole silver(I) complexes were evaluated for their antimicrobial activities against bacteria Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and the fungal strains Candida albicans and Candida glabrata. The results indicated that N-alkylbenzimidazole silver(I) complexes exhibited good antimicrobial activity compared to N-alkylbenzimidazole derivatives. Especially, complex 2e presented perfect antimicrobial activity than the other complexes. The characterized molecules were optimized by DFT-based calculation methods and the optimized molecules were analyzed in detail by molecular docking methods against bacterial DNA-gyrase and CYP51. The amino acid residues detected for both target molecules are consistent with expectations, and the calculated binding affinities and inhibition constants are promising for further studies.tr
dc.identifier.pmid37934281en_US
dc.identifier.scopus2-s2.0-85175947503en_US
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://hdl.handle.net/20.500.12418/14721
dc.identifier.wosWOS:001100986900001en_US
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.relation.publicationcategoryRaportr
dc.rightsinfo:eu-repo/semantics/openAccesstr
dc.titleSynthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexesen_US
dc.typeArticleen_US

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