Sterols from Cyathea Bicrenata Liebm rhizome and their breast cancer activity: in vitro and in silico evaluation

The use of herbal infusions is considered a therapeutic approach that aids and, in many cases, replaces conventional pharmacological treatments. However, the identification of their compounds and their corresponding biological activities has not been thoroughly investigated. This research aimed to evaluate the cytotoxic effect of the sterols fraction isolated from Cyathea bicrenata Liebm ( Cyatheae ) rhizome against human breast carcinoma cells and simulate their impact on the anti-apoptotic Bcl-2 protein. The sterols fraction was isolated by solid phase extraction (SPE). The profile of sterols was analyzed by mass spectrometry (LC–MS). The cytotoxicity was evaluated on MCF-7 and HMEC cell lines using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay method. The in silico simulation evaluated the binding energy and the stability of sterols trajectories within the active site of the Bcl-2 protein. Six sterols were identified. The sterol fraction showed an IC _50-24 h  = 157.79 μg/mL and IC _50-48 h  = 120.23 μg/mL for the MCF-7 line. The sterol compounds of C. bicrenata showed cytotoxic activity against the human breast cancer cell line and low cytotoxic activity against normal human epithelial cells (HMEC cell line). The sterols from C. bicrenata rhizome suggest potential as an alternative pharmacological treatment for human breast cancer.