2021 Student Research Conference:
34th Annual Student Research Conference

Modeling the Inhibition of Flavonoid Derivatives on Aromatase Using Molecular Dynamics

Madison E. Walker
Dr. Bill 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 family of potential drugs called flavonoids has been found to not have harmful side effects but do not bind as well to aromatase as current treatments. This study is investigating flavonoid 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, Flavonoids, Endometrium

Topic(s):Biochemistry and Molecular Biology

Presentation Type: Asynchronous Virtual Oral Presentation

Session: 3-21
Location: https://flipgrid.com/f86d186b
Time: 0:00

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