2022 Student Research Conference:
35th Annual Student Research Conference

Early Design of Aromatase Inhibitors as a Treatment for Endometriosis using Computational Methods

Georgia R. Hollingsworth
Dr. Bill R. Miller, Faculty Mentor

Endometriosis is a disease that is estimated to affect 10% of reproductive-age women wherein the endometrium (the tissue that lines the inside of the uterus) begins to grow abnormally and migrates outside of the uterus. Symptoms of endometriosis include abdominal and pelvic pain during menstruation, pain during sex, scarring, and infertility. Endometriosis has been linked to the abnormal overexpression of an enzyme called aromatase. Inhibitors of aromatase have been explored as a treatment for endometriosis. Current market aromatase inhibitors have extensive side effects. Computational design and screening can help streamline the creation of a new generation of drugs that may have fewer side effects and greater efficacy. This research project used isoflavanone scaffolds, a naturally occurring chemical found in soybeans, to investigate possible inhibitors by analyzing molecular dynamic simulations and quantifying the free-energy.

Keywords: Aromatase, Inhibitors, Pharmacology, Computational Chemistry, Computational Drug Design, Endometriosis , Miller, MERCURY Consortium

Topic(s):Computer Science
Biochemistry and Molecular Biology

Presentation Type: Oral Presentation

Session: 205-5
Location: MG 2001
Time: 11:15

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