Synthesis, crystal structure, DNA/BSA interaction, Molecular Docking, andcatecholase activity of a new phenoxo-bridged dicopper Schiff base complex

There have been enormous efforts towards synthesizing new compounds for cancer treatment.Since the interaction with DNA determines drug activity, designing new complexes with differentDNA-binding modes is essential. The Cu(II) complexes could find better applications aspharmacological agents among various metals. Besides, a drug's distribution, metabolism, andefficacy depend on its effective interaction with proteins. BSA is the most practical protein inbiochemical studies due to its diverse physiological functions [۱]. Also, mimicking metalloenzymes'active sites is crucial in coordination chemistry studies. Considering the dicopper(II) moiety ofcatecholase structure, many dicopper(II) complexes have been used for this purpose [۲]. In thisstudy, the DNA/BSA interaction and catecholase activity of a new binuclear water-soluble Cu(II)complex [CuII۲L(μ۱,۱-NO۳)(μ-OH)(NO۳)(H۲O)], where L=[۲,۶-bis{N-(۲-pyridylethyl)formidoyl}-۴-methylphenol] involving μ-phenoxo N۲O۴ Schiff base ligand, have been studied. The complexinteraction with FS-DNA/BSA was investigated by absorption and fluorescence titration, cyclicvoltammetry, circular dichroism, and viscosity measurements. The complex is characterized byCHN, UV-vis, and FT-IR spectroscopy. X-ray analysis revealed the dinuclear Cu(II) ions in a sixcoordinateddistorted environment. Docking simulation analysis and competitive bindingexperiments with ethidium bromide showed the complex interaction with DNA mainly viaintercalation mode with the Kb value of ۲.۷۸ × ۱۰۴ M-۱. Furthermore, this binuclear system wasemployed to check the possibility of catecholase activity in acetonitrile and DMF, showing highactivity in catalyzing the oxidation of ۳,۵-DTBC to ۳,۵-DTBQ in acetonitrile

کلیدواژه ها:

Schiff base ، Cu(II) complex ، DNA/BSA interaction ، Molecular docking ، Catecholaseactivity.