Synthesis and structural characterization of some divalent metal complexes: DNA binding and antitumor activity

- Azo coumarin ligand and their complexes.
- Molecular structure and molecular docking.
- CT DNA binding by absorption spectra.
- Antitumor activity.

New Complexes (1-4) of Cu(II), Ni(II) Zn(II) and Mn(II) with 3-Ethoxy-6-(phenyl azo)-7-hydroxy coumarin (HL) have been prepared and characterized by elemental analyses, IR, 1H NMR, 13C NMR, mass spectroscopy and UV-Visible spectra as well as thermal measurements. IR spectra showed that the ligand (HL) acts as a monobasic bidentate and coordinating via the nitrogen atom of the azo group (NN) and oxygen atom of the deprotonated phenolic OH group. The molar conductance measurements proved that all the complexes are non-electrolytes. Also the important fragments in the ligand and Ni(II) complex were done using mass spectra and the main peaks were corresponding to the molecular weights. The molecular and electronic structures of the investigated compounds were also studied using quantum chemical calculations. The bonding parameters of the complexes have been calculated. Molecular docking was used to predict the binding between azo compound with the receptor of 3hb5-oxidoreductase receptor of breast cancer and of 2q7k-hormone of prostate cancer. The calf thymus DNA binding activity of the ligand and its metal complexes was studied by absorption spectra and viscosity measurement. The antitumor activity of the ligand and its metal complexes was tested against human cancer MCV-7 (breast cancer).