Synthesis, spectral and crystallographic study, DNA binding and molecular docking studies of homo dinuclear Co(II) and Ni(II) complexes

Two homo dinuclear metal complexes with composition [M2(pda)2(H2O)5]·2H2O (M = Ni2+ and Co2+) have been synthesized and characterized by elemental, spectral and thermal analysis (UV-vis, FT-IR, Fluorescence, EPR, and TGA). The structures of complexes 1 and 2 have been determined by single crystal X-ray diffraction studies and the geometry around M(II) ion was elongated distorted octahedral. Binding studies of the complexes 1 and 2 with Ct-DNA was investigated by absorption, fluorescence and viscosity measurements. The experimental results of DNA binding studies were supported by theoretical (molecular docking analysis). DNA binding results reveal that complexes 1 and 2 bind to the minor groove of DNA and are stabilized through hydrogen bonding interactions.