Investigating the Anticancer Activity and Characterization of Bioactive Constituents of Moricandia sinaica (Boiss.) Boiss through In Vitro and In Silico Approaches in Triple-Negative Breast Cancer Cell Line

Resistance to chemotherapy and recurrence are major hurdles treating hormone receptor-negative breast cancer. The crude extract natural products obtained from medicinal plants believed be multitargeted possess less toxicity as compared synthetic compounds. aerial parts roots of Moricandia sinaica (Boiss.) Boiss were used prepare the extracts in solvents different polarities. Human cancer cell lines (MCF7 MDA-MB-231), liver carcinoma (HepG2), nontumorigenic cells human origin (human umbilical vein endothelial (HUVEC)) treated with a serial dilution Boiss. methanol shoots exhibited higher level cytotoxicity against MDA-MB-231 than any other lines. Six new compounds identified by gas chromatography–mass spectrophotometry analysis Boiss, 2-Tridecen-1-ol was one that represent more 35% extract. M-phase inducer phosphases 1 2 (CDC 25A B) specific protein target for Swiss prediction tool. In silico molecular docking showed binding CDC 25 B energy 25A. possible mechanism anticancer activity is through inhibition phosphatases via 2-Tridecen-1-ol. Further investigations models needed explore therapeutic potential an efficient remedy possibly toxic approach treat triple-negative