Abstract
A series of sixteen oxadiazole derivatives containing a thiazole ring were synthesized, characterized by different spectroscopic techniques (H-1 and C-13 NMR, EI HRMS) and evaluated for their in vitro thymidine phosphorylase inhibitory activity. All compounds showed good to excellent thymidine phosphorylase inhibitory activity with IC50 values ranging between 32.40 +/- 0.01 to 54.10 +/- 0.02 mu M, and three of them proved to be more active than the standard drug 7-deazaxanthine (IC50 = 38.68 +/- 1.12 mu M). Molecular docking study was carried out on the most active compounds in order to identify their interactions with the active site of the enzyme. Structure-activity relationship was also analyzed on the basis of substitution pattern on the phenyl ring.