In Silico Study of The Component of Eleutherine americana MERR. on Human Estrogen Reseptor Alpha as Potential Anti-Breast Cancer

摘要

Eleutherine americana (Indonesian: "bawang dayak") has been used traditionally to treat breast cancer by Borneo people. Its compounds contains eleutherine, eleutherinone, eleutherol, isoeleutherine, eleutherinol, dihydroeleutherinol, hongconin, and 6, 8-dihydroxy-3, 4-dimethoxy-1-methyl-anthraquinone-2-carboxylic acid methyl ester. Those compounds showed inhibitory activity against HeLa cell line and 7,12-dimethylbenz(a) anthracene (DMBA) induced mice at concentration of 100mg/mL. The present study was aimed to investigate the potential compounds of Eleutherine americana as anti-breast cancer by docking method. The compounds of Eleutherine americana were docked into estrogen receptor alpha (3ERT) by using AutoDock v4.2, and the binding affinity was compared to the natural ligand (4-hydroxytamoxifen). The results showed that the natural ligand has binding free energy of –8.7 kcal/mol, and eleutherinol has the highest affinity with binding free energy of –6.43 kcal/mol compared with the other compounds.