Quantitative Structure-Activity Relationship (QSAR) Of N-Benzoyl-N'-Phenylthiourea Compound And Derivatives In Mcf-7 Cancer Cells

Thiourea derivatives are one of the promising anticancer groups to be developed further. These derivatives act as an EGFR inhibitor by inhibiting Tyrosine Kinase Receptors (RTKs) in the intracellular region. In this study, a compound of thiourea derivative, namely N-benzoyl-N'-phenylthiourea (BFTU) compound, was synthesized from Nphenylthiourea through an acylation reaction with benzoyl chloride. In addition, it also synthesized 4 BFTU derivatives compounds, namely: 2-Cl-BFTU; 3-Cl-BFTU; 4-Cl-BFTU; 2,4-2Cl-BFTU. The synthesis of 5 compounds was carried out through a single-step reaction and the structure of the synthesis result was confirmed using IR, 1HNMR, 13C-NMR, HRMS. To determine the IC50 cytotoxic activity of BFTU compound and its 4 derivatives, in vitro activity test was conducted against breast cancer cells MCF-7 and their selectivity in Vero normal cells. BFTU compound and its 4 derivatives showed higher cytotoxic activity on MCF-7 cells than Hydroxyurea (HU) compound and 4 BFTU derivatives showed higher cytotoxic activity than Erlotinib. BFTU compound and its 4 derivatives are toxic to MCF-7 cells but selective or not toxic to Vero normal cells. The best QSAR equation, namely: Log 1/IC50 = 0.354 π + 0.064 (n = 5; r = 0.922; SE = 0.864; F = 16.953; Sig = 0.026). The best QSAR equation obtained can be used to design other BFTU derivative compounds, which have better anticancer activity