Nickel–Metformin Ternary Complexes: Geometrical, Thermal, DNA Binding, and Molecular Docking Studies

Novel three nickel(II) complexes of type [Ni(metf)(o-phen) 2 ]Cl 2 (1) , [Ni(metf)(opda) 2 ]Cl 2 (2) , [Ni(metf)(2–2'bipy) 2 ]Cl 2 (3) , (Metf = metformin, o-phen = ortho-phenanthroline, opda = ortho-phenylenediamine, 2–2' bipy = 2–2′ bipyridyl) were synthesized and characterized by various analytical and spectral techniques. Based on these studies, octahedral geometry is assigned to these complexes. The DNA binding properties of these complexes were investigated by absorption, emission, and viscosity studies. From the spectral data, it was concluded that the complexes bind to DNA through groove mode of binding. The intrinsic binding constants (K b ) from absorption spectroscopy were 1.60 × 10 4 , 3.57 × 10 4 , and 5.70 × 10 4 M −1 for 1 , 2 , and 3 , respectively, and Stern–Volmer quenching constants (K sv ) from emission spectroscopy were 0.11, 0.87, and 0.24, respectively. Thermal degradation pattern of the compounds was studied and Coats–Redfern method is used to determine kinetic parameters for complexes 1 , 2 , and 3 from thermal studies. The software Discovery Studio 2.1 was used to assess the binding affinity and interaction pattern of complexes with the B-DNA receptor protein and complex 1 has the highest dock score.