Copper(II) complex with N , N ’ -dibenzyl 1,2-diaminocyclohexane: structure, DFT, DNA binding, docking, and catecholase-like activity

Mononuclear copper(II) complex Cu(DBDACH)2(ClO4)2 (1) was synthesized with a cyclohexane-1,2-diamine-based bidentate ligand, N,N'-dibenzyl 1,2-diaminocyclohexane (DBDACH) and characterized by various spectroscopic techniques. The structure of the complex was determined by single-crystal X-ray analysis and shows a distorted square planar geometry around the copper center. DNA binding interactions were interrogated by UV-Vis spectroscopic titration, circular dichroism, and docking studies. These studies confirmed that the copper complex binds with CT-DNA through minor groove interactions and showed a good binding constant of Kb = 2.15 × 104 M−1. The catecholase-like activity of 1 was investigated with model substrate 3,5-di-tert-butylcatechol (3,5-DTBC) to corresponding 3,5-di-tert-butylquinone (3,5-DTBQ) using UV-Vis spectroscopy. The rate of this reaction is 0.89 × 10−3 s−1. The kinetic characteristics of 1 were determined through the Michaelis–Menten equation and a Lineweaver-Burk analysis, yielding Vmax (3.4 × 10−3 M s−1), kM (0.49 × 10−3 M), and kcat (1.45 × 10−2 s−1).