Structure-DFT-bioactivity correlation in mixed-ligand Fe( iii ), Mn( ii ), and V( iv )O complexes with bidentate NO donor 1 H -benzimidazole-2-carboxylic acid and norfloxacin ligands
Abstract
antimicrobial studies showed that the metal complexes exhibited higher antibacterial and antifungal activities than the uncoordinated ligands, with inhibition zones comparable to those of a reference antibacterial drug. Anti-inflammatory evaluation demonstrated notable inhibitory effects for the oxidovanadium(IV) and manganese(II) complexes. Molecular docking studies suggested favorable interactions of the iron(III) and oxidovanadium(IV) complexes with DNA gyrase B, providing a possible molecular basis for the observed antibacterial trends. Overall, the results demonstrate that metal coordination significantly influences the structural, electronic, and biological properties of the ligand system.
Fields of Study & Subjects
Metal-Catalyzed Oxygenation Mechanisms
Vanadium and Halogenation Chemistry
Hemoglobin structure and function
Publication details
- Journal / source
- Dalton Transactions
- Volume
- 55
- Issue
- 6
- Pages
- 2509–2523
- Publication date
- 1 January 2026
- Language
- EN