Arı, ErkanŞahin, NeslihanÜstün, ElvanDündar, MuhammedKarcı, HüseyinÖzdemir, İlknurKoç, AhmetGürbüz, NevinÖzdemir, İsmail2024-03-062024-03-062023https://hdl.handle.net/20.500.12418/14721In 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.eninfo:eu-repo/semantics/openAccessArticle379342812-s2.0-85175947503N/AWOS:001100986900001Q2