Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene

Abstract

From the interaction of the vanadyl ion with a ligand (HL), obtained by the condensation reaction of o-vanillin and 2-thiophenemethylamine, a oxodovanadium(IV) complex (VOL2) is obtained. It is characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance and UV-vis and EPR in solutions. Its thermal behavior is analyzed by means of TGA and DTA. Theoretical studies based on DFT computational methods are of help in the interpretation and assignment of spectroscopic data. Cytotoxicity assays (48 h) against bone cancer cells (MG-63, IC50 = 50.4 ± 8.7), breast cancer cells (MCF-7, IC50 = 42.3 ± 4.7) and MDAMB- 231, IC50 = 29.0 ± 1.7) and a normal fibroblast (L929, IC50 = 71.0 ± 3.5), demonstrate the enhancement of effectiveness and selectivity of the complex compared with both the ligand and the free metal ion. Besides, the compound inhibits the cell migration, increases ROS level and conveys the cells to apoptosis. As a whole, these results show the main mechanisms of the deleterious effects of [VOL2] in a triple negative breast cancer cell line (MDA-MB-231), demonstrating that this complex is a promising therapeutic agent for this kind of breast cancer.