Effect of Concentration of TiO Nanoparticles on Thiadiazole Derivative and Their Molecular Docking Study.

In the present work, we report the synthesis of TiO nanoparticles by hydrothermal method using titanium isopropoxide. The synthesized TiO nanoparticles were investigated by Powder X-ray diffraction, FE-SEM with EDX, Photoluminescence, UV-Visible absorption and Fluorescence emission spectroscopy. Fluorescence intensity and absorption values of 4-[5-(2,5-Dimethyl-pyrrol-1-yl)-[1,3,4]thiadiazol-2-ylsulfanylmethyl]-6-methoxy-chromen-2-one (DTYMC) molecule decreases with adding the concentration of TiO nanoparticles. Stern-Volmer equation for steady state method is found to be linear and its co-relation coefficient is found to be r = 0.88, which indicates the presence of dynamic quenching. Binding orientations of the DTYMC ligand with targeted proteins are Thymidylate synthase (TS) - PDB ID: 1JU6, The type II topoisomerases (TOP2α) - PDB ID: 4FM9 and Human thymidine phosphorylase (hTP) - PDB ID: 2WK6. The obtained result suggests that, the DTYMC molecule exhibits inhibitory activity against the overexpression of TS receptor which causes non-small cell lung cancer (NSCLC). Antimicrobial study of TiO NPs has been determined.