2022 Student Research Conference:
35th Annual Student Research Conference

Computational Drug Design of Aromatase Inhibitors as a Treatment for Endometriosis


Sarah E. Holmes
Dr. Bill Miller, Faculty Mentor

Endometriosis is a condition in which endometrial tissue from the uterus is found in other regions of the body, leading to chronic pain, heavy menstrual cycles, and an increased risk of infertility. One pathway through which the disease progresses is the abnormal expression of the protein aromatase. Aromatase inhibitor drugs have the potential to reduce symptoms of endometriosis, however, current drugs on the market have unwanted side effects. The current study focuses on isoflavanones, a class of molecules structurally similar to the natural substrate of aromatase. Recent literature has suggested that isoflavanones may work as aromatase inhibitors with minimal side effects. We generated a list of possible drug molecules using the isoflavanone scaffold. Various computational chemistry programs were then used to assess the binding of each potential drug to aromatase. Many of these molecules have shown promise as potential aromatase inhibitor drugs for the treatment of endometriosis. 

Keywords: Endometriosis, Computational chemistry, Drug design, Biochemistry, Aromatase, Isoflavanones

Topic(s):Biochemistry and Molecular Biology

Presentation Type: Oral Presentation

Session: 305-6
Location: MG 2001
Time: 2:30

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