Docking and Cytotoxicity Test on Human Breast Cancer Cell Line (T47d) of N-(Allylcarbamothioyl)-3-chlorobenzamide and N-(Allylcarbamothioyl)-3, 4-dichlorobenzamide.

Abstract

The specific objective of this research is to investigate the biological activity of thiourea derivativesby in silico study and the cytotoxicity test on human breast cancer cell lines. In this present study, the molecular docking of the new compound N-(allylcarbamothioyl)-3- chlorobenzamide (BATU-02) and N-(allylcarbamothioyl)- 3,4 -dichlorobenzamide (BATU-04) were evaluated on EGFR (1M17.pdb) using MVD v5.5 and showed that the re-rank scores of BATU-02 and BATU-04 are smaller than 5- fluorouracil (5-FU). From the docking result, we can predict that the compounds have a higher biological activity. The cytotoxicity test were evaluated on human breast cancer cell lines (T47D ) using MTT assay. Relevant result showed that these compounds(BATU-02 and BATU-04) demonstrated are more potent compared to 5 -FU as the commercial anticancer drug, with respective IC 50 were 128μg/mL (BATU-02); 86 μg/mL (BATU-04); and 213 μg/mL (5-FU). It can be concluded that the modification compounds of thiourea can be further developed as a potential anticancer drug