Effect of Concentration of TiO₂ Nanoparticles on Thiadiazole Derivative and Their Molecular Docking Study

In the present work, we report the synthesis of TiO₂ nanoparticles by hydrothermal method using titanium isopropoxide. The synthesized TiO₂ 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 TiO₂ 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 TiO₂ NPs has been determined.