Medicinal Chemistry

Molecular Docking and In-silico Studies of Lapachol and 2-(1-hydroxyethyl)-naphtho[2,3-b] furan-4,9-dione Against Human Estrogen Receptor Alpha

Abstract

Zulfa Hamid*

Breast cancer affects large number of women and the incidence of its occurrence is increasing annually. Human estrogen receptor alpha over expression known as one of the causes of breast cancer. Naturally produced medicinal compounds are well known for their efficacy and safety. In this study the focus is on two naturally occurring compounds which are found to have antitumor activities and they are found in a plant that has been used traditionally for breast cancer treatment for long time. These two compounds are Lapachol and 2-(1-hydroxyethyl)-naphtho[2,3-b] furan-4,9-dione, Fulvestrant was used as a control. swissDock was used for docking of the three compounds against Human Estrogen Receptor alpha and then they were evaluated for their dug likeness properties. Lapachol and 2-(1-hydroxyethyl)-naphtho[2,3-b] furan-4,9-dione showed slightly lower binding energy and better drug likeness properties than the standard. Showing that they can be farther investigated as oral anti Human Estrogen Receptor alpha agents.