Copper-metformin ternary complexes: Thermal, photochemosensitivity and molecular docking studies.

The copper(II) complexes [Cu(Cl)2(met)(o-phen)] (1), [Cu(Cl)2(met)(en)] (2) and [Cu(Cl)2(met)(opda)] (3) (met = metformin, o-phen = ortho-phenanthroline, en = ethylenediamine, opda = ortho-phenylenediamine) were synthesized and characterized by LC-MS, elemental analysis, molar conductance, thermal analysis, infrared spectra, magnetic moment, electronic spectra and XRD studies. The metal center was found in an octahedral geometry. The activation thermodynamic properties were calculated using Coats-Redfern method. Thermal decomposition processes of complexes 1, 2, 3 are non-spontaneous, i.e., the complexes are thermally stable. The positive value of Gibbs free energy of decomposition (ΔG⁎) for the Cu(II) complexes is non-spontaneous processes. UV-Visible absorption, fluorescence, and viscosity measurements have been conducted to assess the interaction of the complexes with CT DNA. The complexes showed absorption hyperchromism in its UV-Vis spectrum with DNA. The binding constants Kb from UV-Vis absorption studies were 4.6 × 105, 1.48 × 105, 2.09 × 105 M-1 for 1, 2, 3 respectively and Stern-Volmer quenching constants (Ksq) from fluorescence studies were 0.636, 0.293, 0.487 for 1, 2, 3 respectively. Finally, viscosity measurements revealed that the binding of the complexes with CT-DNA could be surface binding, mainly due to groove binding. The activity of complexes towards DNA cleavage decreases in the order of 1 > 3 > 2. The complexes were docked in to B-DNA sequence, 5'(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3' retrieved from protein data bank (PDB ID: 423D), using Discovery Studio 2.1 software.