Cytotoxicity of oleanane type triterpene from leaf extract of Pterospermum acerifolium (in vitro) and theoretical investigation of inhibitory signaling pathway

Abstract

ObjectiveTo evaluate the cytotoxic activity of taraxerol isolated from the leaves of Pterospermum acerifolium and its EtOH extract against human breast, colon, and lung cancer cell lines and docking studies. MethodsThe structures of the isolated compounds were elucidated by several spectroscopic methods such as 1H-NMR, 13C-NMR, DEPT-135, COSY, HSQC, and HMBC. The extract and isolated compound were analyzed for cytotoxic activity on MDA-MB-231, BT-549, A-549, and SW-480 cancer cell lines by MTT assay. Molecular docking was performed on software such as Chem3D pro 12.0.2.1076, Discovery Studio Visualizer, Auto Dock Tools-1.5.6 and Auto dock vina. ResultsThe extract and isolated compound taraxerol both displayed excellent inhibitory activity (IC50: 80 µg/mL for extract and 160 µg/mL for compound) on breast cancer cell (MDA-MB-231). The docking studies show a strong affinity with PI3K (-9.8 Kcal/mol) and mTOR (-10.0 Kcal/mol). ConclusionThe results confirm that the extract and compound exhibited strong cytotoxicity on the MDA-MB-231 cancer cell. So, the extract and the compound may be useful in human chemotherapies.