R. Kharwar, R. Dixit
2021
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Abstract
Here we report the synthesis of N-(8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide (8HQMBS) ligand and its metal (M(II)) complexes, where M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II) & Zn(II) in 2:1 molar ratio. The synthesis was investigated by the study of physicochemical properties, elemental analysis, FT-IR, Mass, NMR, TGA, UV-Vis absorption spectroscopy, and magnetic susceptibility. Octahedral geometry of metal complexes was proposed based on the aforementioned analysis. In vitro, antibacterial and antifungal screening showed enhanced activity of ligand upon metal complexation. Complexes-DNA interaction was investigated and the results indicated that the complexes could strongly bind to CT-DNA by intercalation mechanism. In silico ADMET study revealed good drug-likeness characteristics of the compounds. Finally, a comparative molecular docking study with the bacterial proteins and a DNA helix was performed to offer better insight into the binding mechanism and critical interactions in their active pockets. The docking results confirmed the spectroscopic results.