A new steroid glycoside from : cytotoxic activity and docking studies.

Chemical investigation on the ethyl acetate extract of the aerial parts of afforded a new steroid glycoside, 9(11)α,16(17)α-dioxirane-20,25-dihydroxy-β-sitosterol-3--β-glucopyranoside () along with a known steroidal glycoside, β-sitosterol-3--β-D-glucopyranoside (). The Chemical structures were elucidated by 1D and 2D NMR and mass spectroscopic analysis. Cytotoxicity against four different cancer cell lines (HeLa, T47D, WiDr and Vero) was assessed. Compound was more potent and selective against breast cancer cell line (T47D) than other cell lines with an IC value of 0.16 µg/mL. Further docking study of exhibited the preference of molecule to bind in the epidermal growth factor receptor tyrosine kinase (EGFR-TK) binding pockets with docking scores of -97.8800 (PLANTS) and -3.56 kcal/mol (AutoDock 4.2.6).