32nd Annual Student Research Conference
Computational Drug Design and Investigation of Aromatase Inhibitors to Treat Endometriosis
Madison E. Walker
Dr. Bill R. Miller, Faculty Mentor
Endometriosis is a disorder where the inner lining of the uterus, endometrium, grows outside of the uterus. Endometriosis affects approximately 1 in 10 women. The protein aromatase produces estradiol which is in the feedback loop that induces the production of estrogen. The endometrium tissue grows in response to the increased estrogen levels and causes scar tissue, which leads to painful symptoms, such as heavy menstrual bleeding, severe pain, and problems with fertility. Therefore, aromatase is a prime candidate for drug targeting in order to inhibit the production of estrogen. A new class of potential drugs called isoflavones have been found to not have the same bad side effects of currently marketed drugs but do not bind as well to aromatase. This study is investigating isoflavone derivatives as potential drugs to inhibit aromatase. We test these compounds using computational chemistry techniques, such as molecular docking and molecular dynamics.
Keywords: Endometriosis, Aromatase, Molecular Docking, Estrogen, Computational, Molecular Dynamics
Topic(s):Biochemistry and Molecular Biology
Presentation Type: Oral Paper
Session: 108-3
Location: MC 209
Time: 9:00