Antidiabetic, antioxidant, DFT and molecular docking studies of a triazene derivative and its transition metal complexes

摘要

A triazene derivative and its transition metal complexes were prepared and characterized using molar conductance, magnetic susceptibility measurements, IR, UV-visible, NMR spectral studies wherever possible and applicable. The structure of the ligand and metal complexes was further confirmed using DFT calculations with the help of B97d method with 6-311++G(d,p) basis set. The antidiabetic and antioxidant activities of the ligand and the metal complexes were studied. The ligand showed potential biological activities which increased on chelation with metal ion. Apart from this, the molecular docking studies were carried out in order to understand the binding interaction of the ligand and its metal complexes with active sites of the target proteins.