Docking, Synthesis, and Cytotoxic Activity of N-4-Methoxybenzoyl-N’-(4-fluorophenyl)thiourea on HeLa Cell Line

Abstract

Tiourea derivatives such as phenylthiourea, benzoyltiourea, tenovin, and many more have been reported as anticancer agent. In this study, we have done some initial step (docking, synthesis, and cytotoxic assay) to develop one of thiourea derivatives, N-4-Methoxybenzoil-N’-(4-fluorofenil)tiourea, as potential anticancer compound. First, it has been docked in SirT1 receptor with PDB ID : 4I5I using MVD v5.5, then it showed that its rerank score were lower than Hydroxyurea (HU). It was predicted that it has higher biological activity. Second, compound were synthesized by two step reaction between ammonium thiocyanate and 4-Methoxybenzoyl chloride  then with 4-fluoroaniline. The structures of compounds were characterized by UV, IR,¹HNMR,¹³ CNMR, and Mass Spectrometer. third, the new compound was screened for in vitro cytotoxic activity against HeLa cell line. Result, N-4-Methoxybenzoyl-N’-(4-fluorophenyl)thiourea has IC₅₀ lower than hydroxyurea as reference.