Dalton Transactions, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This work delves into the synthesis, characterization, and bioactivity of new metal complexes imidazole (IM)-based benzimidazole (BZ)-based ligands with Fe(III) Ni(II) ions. Broad characterization techniques, including elemental analysis, IR spectroscopy, magnetic moment measurement, electronic spectral mass spectrometry, thermal DFT calculations, confirmed successful preparation a 1 : (M IM BZ) stoichiometry. The NiBZI M FeBZIM possessed octahedral geometry, one two water molecules coordinated Ni(II), respectively. calculations demonstrated that reduction energy gap increase in softness for resulted from coordination, enhancing reactivity biological activity complexes. NiBZIM exhibited strong antimicrobial activity, both displaying improved efficacy towards Gram-positive Gram-negative bacteria compared their corresponding free ligands. Their activities were comparable to standard antibiotic chloramphenicol. Furthermore, these good antifungal Aspergillus niger Candida albicans, surpassing MIC values also ensured enhanced Other than properties, significant anti-inflammatory where complex highest an IC50 value closer reference drug. Molecular docking studies on E. coli FabH-CoA (PDB ID: 1HNJ) human cyclooxygenase-2 (COX-2) 5IKT) revealed binding affinity formation several hydrogen bonds key amino acid residues, suggesting favorable antibacterial activity. Overall, newly synthesized immense potential as novel drugs

Language: Английский