SYNTHESIS, CHARACTERISATION, ANTIMICROBIAL ACTIVITY AND MOLECULAR DOCKING STUDIES OF NOVEL NICKEL(II) AND COBALT(II) COMPLEXES DERIVED FROM 4-AMINOANTIPYRINE DERIVATIVES

Abstract

The Ni(II) and Co(II) complexes derived from 4-aminoantipyrine derivatives were synthesized and characterised by IR, Mass, 1H NMR, electronic spectra, magnetic moment, molar conductance, thermal analysis. The obtained analytical data shows the Novel Ni(II) and Co (II) complexes shows metal to ligand ratio 1:2. The ligand acts as bidentate ligand co-ordinated to central metal ion through azomethine nitrogen. The geometry of synthesized novel Ni(II) and Co(II) complexes were octahedral. The novel complexes were screened for their biological potential against selected strains of antibacterial and antifungal organism by broth dilution method. The molecular docking studies of Novel complexes against E. coli DNA Gyrase B (PDB ID: 6YD9) and Candida albicans lanosterol 14-α-demethylase (PDB ID: 5TZ1). The docking results demonstrate that the synthesized cobalt and nickel complexes exhibit consistently stronger affinity toward lanosterol 14-α-demethylase than toward DNA gyrase B, suggesting greater potential for antifungal activity.