The Inhibition of Aromatase Using Isoflavanone Derivatives to Treat Endometriosis With Computational Chemistry

Madison E. Walker
Dr. Bill R. Miller, Faculty Mentor

Endometriosis is a disorder affecting 10% of women where the inner lining of the uterus, endometrium, grows outside of the uterus. The endometrial tissue grows in response to increased estrogen levels and causes scar tissue which leads to symptoms such as heavy menstrual bleeding, problems with fertility, and digestive/gastrointestinal issues. The protein aromatase induces the production of estrogen. We are targeting aromatase to inhibit the production of estrogen. Current drugs on the market cause severe side effects. A class of potential drugs called isoflavanones has been found to not have harmful side effects but do not bind as well to aromatase as current treatments. This study is investigating isoflavanone derivatives as potential drugs to inhibit aromatase. We test these compounds using computational chemistry techniques, such as molecular docking and molecular dynamics. From these results we hope to find a new drug to treat endometriosis without producing harmful side effects.

Keywords: Endometriosis, Aromatase, Molecular Docking, Estrogen, Computational, Molecular Dynamics, Isoflavanones

Topic(s):Biochemistry and Molecular Biology

Presentation Type: Oral Presentation

Session: TBA
Location: TBA
Time: TBA