Synthesis, antimicrobial activity and molecular docking study of benzyl functionalized benzimidazole silver(I) complexes
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Date
2023Author
Arı, ErkanŞahin, Neslihan
Üstün, Elvan
Dündar, Muhammed
Karcı, Hüseyin
Özdemir, İlknur
Koç, Ahmet
Gürbüz, Nevin
Özdemir, İsmail
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In 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.