Chemical Profiling, Antioxidant, Cytotoxic Activities and Molecular Docking Simulation of DC. (Cruciferae).

Our investigation intended to analyze the chemical composition and the antioxidant activity of and to evaluate the antiproliferative effect of crude and phenolics extracts by MTT assay on a panel of cancerous and non-cancerous breast and liver cell lines. The total flavonoid and phenolic contents of were 47.3 ± 17.9 mg RE/g and 83.8 ± 5.3 mg respectively. extract exhibited remarkable antioxidant capacity (50.92 ± 5.64 mg GAE/g) in comparison with BHT (74.86 ± 3.92 mg GAE/g). Moreover, the extract exhibited promising reduction ability (1.17 mMol Fe/g) in comparison to the positive control (ascorbic acid with 2.75 ± 0.91) and it displayed some definite radical scavenging effect on DPPH (IC values of 211.9 ± 3.7 µg/mL). Chemical profiling of extract was achieved by LC-ESI-TOF-MS/MS analysis. Forty-nine hits mainly polyphenols were detected. Flavonoid fraction of was more active than the crude extract. It demonstrated selective cytotoxicity against the MCF-7 and HepG2 cells (IC = 13.04 and 19.3 µg/mL respectively), induced cell cycle arrest at pre-G1 and G2/M-phases and displayed apoptotic effect. Molecular docking studies supported our findings and revealed that kaempferol-L-rhamnoside and kaempferol-3-rutinoside were the most active inhibitors of Bcl-2. Therefore, herb seems to be a promising candidate to further advance anticancer research. In extrapolation, the intake of phenolics might be adventitious for alleviating breast and liver malignancies and tumoral proliferation in humans.