Ari, ErkanSahin, NeslihanUstuen, ElvanDundar, MuhammedKarci, HueseyinOzdemir, IlknurKoc, Ahmet2024-08-042024-08-0420230949-82571432-1327https://doi.org/10.1007/s00775-023-02024-yhttps://hdl.handle.net/11616/101656In 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.eninfo:eu-repo/semantics/closedAccessN-alkyl benzimidazoleSilverAntimicrobial activityMolecular dockingArticle2887257363793428110.1007/s00775-023-02024-y2-s2.0-85175947503Q2WOS:001100986900001Q2