Abstract

INTERACTION OF FURANODIENONE, PROCURCUMENOL, CURDIONE,AND DEHYDROCURDIONEFOUND IN CURCUMA ZEDOARIA (CHRISTM.) ROSCOE) WITH HUMAN ESTROGEN RECEPTOR ALFA (ERα)

¹Faculty of Pharmacy, Universitas Padjadjaran, Jatinangor , Indonesia.

Abstract

ERα, induced by estradiol, which is its agonist, activating genes that play a role in the growth of breast cancer cells, thus making it an attractive target for anti-breast cancer drug discovery. Essential oils of white tumerics (Curcuma zedoaria), which consists of several compounds, for example, furanodienon, procurcumenol, curdion, and dehidrocurdion, could be expected to occupy the active ERα bag because it has inhibitory activity against MCF-7 cells in vitro testing. Molecular docking performed on compound furanodienon, procurcumenol, curdion, and dehidrocurdion to visualize the interaction between these ligands with ERα compared with estradiol and tamoxifen, using the software AutoDock Vina. Molecular docking results showed that the compound furanodienon, procurcumenol, curdion, dehidrocurdion, and tamoxifen interact with ERα whereas hydrophobic estradiol forming hydrogen bonds and hydrophobic interactions. It was found that all tested ligands could be located in the active pocket of ERα, based on the Ki values, which are 1,154μM, for furanodienone, procurcumenol, and dehydrocurdione, and 1,365μM, forcurdione.

Keywords: ERα, furanodienone, procurcumenol, curdione, dehydrocurdione, docking