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

DOI

10.2991/iccst-15.2015.2How to use a DOI?

Keywords

3ERT, breast cancer, docking, E. americana, Iridaceae, OHT, naphtaquinone

Abstract

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.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Tasia Amelia
AU  - Dina Pratiwi
AU  - Romsiah
AU  - Daryono H. Tjahjono
PY  - 2015/01
DA  - 2015/01
TI  - In Silico Study of The Component of Eleutherine americana MERR. on Human Estrogen Reseptor Alpha as Potential Anti-Breast Cancer
BT  - Proceedings of the 3rd International Conference on Computation for Science and Technology
PB  - Atlantis Press
SP  - 6
EP  - 9
SN  - 2352-538X
UR  - https://doi.org/10.2991/iccst-15.2015.2
DO  - 10.2991/iccst-15.2015.2
ID  - Amelia2015/01
ER  -