Benzimidazol-2-ylidene Silver Complexes: Synthesis, Characterization, Antimicrobial and Antibiofilm Activities, Molecular Docking and Theoretical Investigations

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dc.authoridGurbuz, Nevin/0000-0003-3201-3597
dc.authoridÖzdemir, Namık/0000-0003-3371-9874
dc.authoridOzdemir, Ismail/0000-0001-6325-0216
dc.authoridUSTUN, Elvan/0000-0002-0587-7261
dc.authoridSEMERIL, David/0000-0002-2582-4191
dc.authorwosidGurbuz, Nevin/A-3069-2016
dc.authorwosidOZDEMIR, ISMAIL/KVY-3420-2024
dc.authorwosidÖzdemir, Namık/J-6434-2015
dc.authorwosidŞAHİN, Neslihan/F-6402-2019
dc.contributor.authorTutar, Ugur
dc.contributor.authorCelik, Cem
dc.contributor.authorUstuen, Elvan
dc.contributor.authorOzdemir, Namik
dc.contributor.authorSahin, Neslihan
dc.contributor.authorSemeril, David
dc.contributor.authorGurbuz, Nevin
dc.date.accessioned2024-08-04T20:54:47Z
dc.date.available2024-08-04T20:54:47Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractFive silver(I) complexes, namely chloro[1-methallyl-3-benzyl)benzimidazol-2-ylidene] silver (6), chloro[1-methallyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver (7), chloro[1-methallyl-3-(3,4,5-trimethoxylbenzyl)benzimidazol-2-ylidene]silver (8), chloro[1-methallyl- 3-(naphthylmethyl)benzimidazol-2-ylidene]silver (9), and chloro [1-methallyl-3-(anthracen-9-yl- methyl)benzimidazol-2-ylidene]silver (10), were prepared starting from their corresponding benzimidazolium salts and silver oxide in 71-81% yields. A single-crystal X-ray structure of 7 was determined. These five Ag-NHC complexes were evaluated for their antimicrobial and biofilm formation inhibition properties. Complex 10 exhibited high antimicrobial activities comparable to those obtained with standard drugs such as Fluconazole in contact with Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Acinetobacter baumannii, and Candida albicans. The latter complex has been shown to be very efficient in antibiofilm activity, with 92.9% biofilm inhibition at 1.9 mu g/mL on Escherichia coli. Additionally, the molecules were optimized with DFT-based computational methods for obtaining insight into the structure/reactivity relations through the relative energies of the frontier orbitals. The optimized molecules were also analyzed by molecular docking method against DNA gyrase of Escherichia coli and CYP51 from Candida albicans.en_US
dc.description.sponsorshipTechnological and Scientific Research Council of Turkey [TUEB ITAK-3001(118R045)]; Ondokuz Mayimath;s University [PYO.FEN.1906.19.001]en_US
dc.description.sponsorshipThis research was funded by the Technological and Scientific Research Council of Turkey, project number TUEB ITAK-3001(118R045), and by Ondokuz May & imath;s University, project number PYO.FEN.1906.19.001en_US
dc.identifier.doi10.3390/inorganics11100385
dc.identifier.issn2304-6740
dc.identifier.issue10en_US
dc.identifier.scopus2-s2.0-85175314527en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.3390/inorganics11100385
dc.identifier.urihttps://hdl.handle.net/11616/101641
dc.identifier.volume11en_US
dc.identifier.wosWOS:001090011900001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherMdpien_US
dc.relation.ispartofInorganicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectsilveren_US
dc.subjectbenzimidazol-2-ylideneen_US
dc.subjectantimicrobial activityen_US
dc.subjectantibiofilm activityen_US
dc.subjectmolecular dockingen_US
dc.titleBenzimidazol-2-ylidene Silver Complexes: Synthesis, Characterization, Antimicrobial and Antibiofilm Activities, Molecular Docking and Theoretical Investigationsen_US
dc.typeArticleen_US

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