Synthesis, characterization, theoretical simulation, and DNA-nuclease activity of a newly synthesized Mn–oximato complex
A new [MnII(sal-oxime)2(H2O)2] complex has been synthesized and characterized by various spectroscopic techniques (IR, UV–vis, ESI-MS, and EPR studies). The molecular geometry of the complex was further established by DFT study. TD-DFT calculations also showed a good agreement with the experimental results of the complex. The DNA-binding activity of the complex has been studied by various physicochemical tools such as UV–vis spectroscopy and viscosity measurements. The intrinsic binding constant (Kb) of the complex with CT-DNA was calculated to be (2.40 ± 0.2) × 103 M−1. The results of the DNA-binding experiments were also supported by molecular docking. The compound showed a good nuclease activity which was assessed by gel electrophoresis technique.
