Isoniazid-Crysin Incorporated Mixed Ligand Schiff Base Metal(II) Complexes: Synthesis, Spectral Investigation, DNA Binding and Antibacterial Studies

Abstract

In present work, a novel isoniazid incorporated metal(II) complexes using chrysin as a co-ligand have been synthesized. The structural characterization of all the four transition metal(II) complexes [M = Co2+, Ni2+, Cu2+, Zn2+] were investigated by electronic absorption, infrared, 1H & 13C NMR, high resolution electron spray ionization-mass techniques and other physico-chemical parameters. The results revealed that the Schiff base metal complexes with mixed ligands have octahedral configurations. The antibacterial analysis demonstrates that they have exceptional inhibitory efficacy against various bacterial and fungal strains. The DNA study reveals that the Schiff base metal(II) complexes with mixed ligands have intercalation type of binding. The DNA from calf thymus (ct-DNA) (PDB ID: 1BNA) was used for molecular docking studies to determine the likely binding location of the metal(II) complexes. The 3D structure of the compounds was optimized using Gaussian 09 software 6-31G/B3LYP set and the DFT calculations were used to locate enzyme- inhibitory areas.