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Five undescribed (2-6) rotenoid derivatives along with three known rotenoids (1, 7 and 8) were isolated from the rhizomes of white colored variety of Mirabilis jalapa Linn. The structures of these undescribed compounds were elucidated based on UV, IR, HR-MS (ESI), 1D and 2D NMR spectroscopic techniques. Selected compounds were evaluated for their cell viability and proliferation in two cancer cell lines namely, cervical (HeLa), breast (SKBR-3) and normal lung fibroblast (WI-38). Among them, the compounds Boeravinone C (1), Mirabijalone S (2), Mirabijalone T (3) and 4, 6, 11-trihydroxy-9-methoxy-10-methylchromeno [3, 4-b] chromen-12(6H)-one (8) showed moderate cytotoxicity against HeLa cells with IC50 values in the 8.40 − 12.9 μM range, and compound 8 exhibited cytotoxicity against SKBR-3 cells with IC50 value of 17.6 μM. Molecular docking studies of isolated compounds were performed with three apoptosis proteins, 3H11, 2AR9 and 1X0X. These results revealed that the isolated compounds were found to interact with Caspase 8 and 9 along with the anti-apoptotic protein Survivin. Since these compounds exhibit cytotoxic effects against SKBR3 and HeLa cells, they are expected to show apoptosis and may be further utilized for wet lab apoptotic studies. |
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