Abstract
Breast cancer is the most frequently diagnosed disease which affects women ’s worldwide. Aggressiveness of cancer cells has thwarted several scientific approaches, preventing their invasion and spread to nearby tissues despite scientists’ unrelenting attempts. In this study, a series of coumarin chalcone hybrids were designed and synthesised by Vilsmeier-Haack, nucleophilic aromatic substitution and Claisen condensation reaction. Characterization of derivatives done by spectral studies such as IR, NMR and Mass spectrometry. The purpose of this work was assessing the cytotoxic effects of recently synthesised coumarin chalcone compounds on breast cancer cell lines (MCF-7). Swiss ADME web tool and computational data from computer-assisted software were used to compare the results. According to molecular docking all the produced molecules met Lipinski’s rule. Additionally, findings from cytotoxicity tests showed that substances 5h and 5i displayed significant efficacy against MCF-7 cells with GI50 (9.8 and 9.6μg/ml respectively), according this study, the compounds mentioned above had more antitumor effects on MCF-7 cell lines (human breast cancer) than standard drug Imatinib (IG50 = 9.4μg/ml). GraphPad prism was used for data analysis. Consequently, it is possible to see compounds 5a, 5e, 5h and 5i as potential agent against MCF-7. It is concluded that the potential of synthesised hybrids could be more effective in aggressive breast cancer (MCF-7).
Keywords: ADMET, Anticancer, Imatinib, MCF-7, Molecular Docking.