Synthesis, Characterization, Molecular Docking and Cytotoxicity Evaluation of New Thienyl Chalcone Derivatives against Breast Cancer Cells

Abstract

Mohammad Murwih Alidmat37035, Melati Khairuddea37036*, Nik Nur Syazni Nik Mohammad Kamal37037, Musthahimah Muhammad37038, Habibah A. Wahab37039, Mohammad G. Althiabat37040 and Maram B. Alhawarri37041

Breast cancer is women's most prevalent cancer type. The development of chemotherapy drug resistance and adverse effects is a significant barrier to breast cancer treatment. Recently, the focus of drug discovery has increased toward a valuable structure known as chalcones due to their extensive bioactivity in cancer treatment. In this study, 11 new thienyl chalcone derivatives have been synthesized at room temperature. All the synthesized thienyl chalcone derivatives have been characterized using ATR-FTIR, NMR (1D and 2D). The cytotoxicity activity of all these chalcone compounds was investigated against breast cancer cell lines (MCF- 7 and MD-MB-231) and normal breast cell lines (MCF10A). The results showed that compounds 5 and 8 exhibited significant cytotoxic activity effects against MCF-7 with IC₅₀ 7.79 ± 0.81 μM and 7.24 ± 2.10 μM, respectively while the effect against MDA-MB-231 showed the IC₅₀ of 5.27 ± 0.98 μM and 21.58 ± 1.50 μM, respectively.