SYNTHESIS, IDENTIFICATION OF IN-SILICO INTERACTIONS AND BIOLOGICAL STUDIES OF NOVEL SCHIFF BASE LIGAND AND ITS COPPER (II) COMPLEX

A novel copper (II) complex has been synthesized with Schiff base ligand obtained by the reaction of substituted carbohydrazone and thiosemicarbazide hydrochloride from the condensation reaction of ester and primary aromatic amine. The synthesized ligand and its copper (II) complex were characterized by various spectroscopic techniques like FT-IR, H1 NMR, UV-Visible, Fluorescence, powder XRD and Thermo-gravimetric analysis. Ligand and its copper complex were also screened for antioxidant and anticancer activities. In Cu (II) complex 1:2 copper to ligand molar ratio was obtained from analytical data. The molar conductance data confirm that complex is non- electrolytic in nature. Based on the electronic and magnetic data, a distorted octahedral geometry is ascribed for the Cu (II) complex. Ligand and its Cu (II) complex showed considerable anticancer activity against MCF-7 cell lines and more pronounced antioxidant activity in the presence of DPPH. Furthermore, molecular docking of ligand and its copper complex into the binding site of topoisomerase IIα was carried out using Auto Dock Vina software which demonstrated significant binding energies of copper (II) complex when compared to Schiff base ligand. The result of the docking study exhibited that copper complex shows-19.8 kcal/mol binding energy and fitted into the same active site where Schiff base ligand occupied with -8.9 kcal/mol binding energy.