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

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dc.authoridDundar, Muhammed/0000-0001-6509-2012
dc.authoridKarci, Huseyin/0000-0002-5709-1623
dc.authoridGurbuz, Nevin/0000-0003-3201-3597;
dc.authorwosidOZDEMIR, ISMAIL/KVY-3420-2024
dc.authorwosidDundar, Muhammed/AAN-1831-2020
dc.authorwosidKarci, Huseyin/AAC-3985-2022
dc.authorwosidGurbuz, Nevin/A-3069-2016
dc.authorwosidŞAHİN, Neslihan/F-6402-2019
dc.contributor.authorAri, Erkan
dc.contributor.authorSahin, Neslihan
dc.contributor.authorUstuen, Elvan
dc.contributor.authorDundar, Muhammed
dc.contributor.authorKarci, Hueseyin
dc.contributor.authorOzdemir, Ilknur
dc.contributor.authorKoc, Ahmet
dc.date.accessioned2024-08-04T20:54:48Z
dc.date.available2024-08-04T20:54:48Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractIn this study, a series of N-functionalized benzimidazole silver(I) complexes were prepared and characterized by FT-IR, H-1, C-13{H-1} 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.en_US
dc.description.sponsorshipIdot;noenue University Research Fund [FBG-2021-2562]en_US
dc.description.sponsorshipThis work was financially supported by the & Idot;noenue University Research Fund (FBG-2021-2562).en_US
dc.identifier.doi10.1007/s00775-023-02024-y
dc.identifier.endpage736en_US
dc.identifier.issn0949-8257
dc.identifier.issn1432-1327
dc.identifier.issue8en_US
dc.identifier.pmid37934281en_US
dc.identifier.scopus2-s2.0-85175947503en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage725en_US
dc.identifier.urihttps://doi.org/10.1007/s00775-023-02024-y
dc.identifier.urihttps://hdl.handle.net/11616/101656
dc.identifier.volume28en_US
dc.identifier.wosWOS:001100986900001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofJournal of Biological Inorganic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectN-alkyl benzimidazoleen_US
dc.subjectSilveren_US
dc.subjectAntimicrobial activityen_US
dc.subjectMolecular dockingen_US
dc.titleSynthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexesen_US
dc.typeArticleen_US

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