Synthesis, Physico-chemical, Spectral And Molecular Docking studies of 4-[(E)benzylideneamino]-5-methyl-4H-1,2,4-triazole-3-thiol and Its Metal Complexes with Cu(II), Ni(II), Co(II) and Zn(II)

Abstract

Heterocyclic compounds like Triazoles have great medicinal value. There metal complexes have also shown a vide range of biological activity. In the present research, a triazole derived ligand, 4-[(E)-benzylideneamino]-5methyl-4H-1,2,4-triazole-3-thiol and its metal complex with Cu(II), Ni(II), Co(II) and Zn(II) metal ions were prepared in solid state. The ligand and its metal complexes were characterized by elemental analysis and spectral techniques like IR spectra and UV-Visible spectra. The shift in the infrared spectral band indicates bonding of metal ion with ligand through deprotonated thiol group and imine ( C=N) Nitrogen atom. The ligand is bidentate. The IR spectral analysis also showed that a large amount of lattice water is present in Ni(II) and Co(II) complex. All the metal complexes and ligand are neutral species soluble in organic solvents like DMF and DMSO. UV-Visible spectra of Cu(II), Ni(II) and Co(II) complexes indicate that their geometry is distorted octahedral. The molecular docking of the synthesized compounds was performed using CB Dock 2 server against 1JIJ protein derived from Staphylococcus Aureus. The vina score obtained indicates that compounds inhibits the protein and are potentially anti-bacterial