Design, synthesis, antimicrobial activity and molecular docking study of cationic bis-benzimidazole-silver(I) complexes

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dc.authoridÜstün, Elvan/0000-0002-0587-7261
dc.authoridOzdemir, Ismail/0000-0001-6325-0216
dc.authoridSEMERIL, David/0000-0002-2582-4191
dc.authorwosidŞAHİN, Neslihan/F-6402-2019
dc.authorwosidÜstün, Elvan/HJB-1157-2022
dc.contributor.authorUstun, Elvan
dc.contributor.authorSahin, Neslihan
dc.contributor.authorOzdemir, Ilknur
dc.contributor.authorGunal, Selami
dc.contributor.authorGurbuez, Nevin
dc.contributor.authorOzdemir, Ismail
dc.contributor.authorSemeril, David
dc.date.accessioned2024-08-04T20:54:36Z
dc.date.available2024-08-04T20:54:36Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractTwo series of bis(1-alkylbenzimidazole)silver(I) nitrate and bis(1-alkyl-5,6-dimethylbenzimidazole)silver(I) nitrate complexes, in which the alkyl substituent is either an allyl, a 2-methylallyl, an isopropyl or a 3-methyloxetan-3-yl-methyl chain, were synthesized and fully characterized. The eight N-coordinated silver(I) complexes were screened for both antimicrobial activities against Gram-negative (Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter baumannii) and Gram-positive (Staphylococcus aureus, Staphylococcus aureus MRSA, and Enterococcus faecalis) bacteria and antifungal activities against Candida albicans and Candida glabrata strains. Moderate minimal inhibitory concentrations (MIC) of 0.087 & mu;mol/mL were found when the Gram-negative and Gram-positive bacteria were treated with the silver complexes. Nevertheless, MIC values of 0.011 & mu;mol/mL, twice lower than for the well-known fluconazole, against the two fungi were measured. In addition, molecular docking was carried out with the structure of Escherichia coli DNA gyrase and CYP51 from the pathogen Candida glabrata with the eight organometallic complexes, and molecular reactivity descriptors were calculated with the density functional theory-based calculation methods.en_US
dc.description.sponsorshipScientific Research Project Fund of Sivas Cumhuriyet University [F-461]en_US
dc.description.sponsorshipACKNOWLEDGMENTS This work is supported by the Scientific Research Project Fund of Sivas Cumhuriyet University (project number F-461).en_US
dc.identifier.doi10.1002/ardp.202300302
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue10en_US
dc.identifier.pmid37541657en_US
dc.identifier.scopus2-s2.0-85166743561en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.202300302
dc.identifier.urihttps://hdl.handle.net/11616/101501
dc.identifier.volume356en_US
dc.identifier.wosWOS:001040549300001en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofArchiv Der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectantifungal activityen_US
dc.subjectantimicrobial activityen_US
dc.subjectbenzimidazoleen_US
dc.subjectmolecular dockingen_US
dc.subjectsilveren_US
dc.titleDesign, synthesis, antimicrobial activity and molecular docking study of cationic bis-benzimidazole-silver(I) complexesen_US
dc.typeArticleen_US

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