2021 Student Research Conference:
34th Annual Student Research Conference

Computational Drug Design to Inhibit the Zika NS2B/NS3 Protease


Elizabeth E. Cremer
Dr. Bill Miller, Faculty Mentor

The Zika Virus (ZIKV) is a single-stranded RNA flavivirus that is spread via mosquitoes. It is primarily found in Latin America, Africa, and Southeast Asia. Along with causing a fever in adults, the virus can cause birth defects. There is currently no vaccination or medication to prevent or treat ZIKV. The Zika virus produces a NS2B/NS3 protease that allows the virus to replicate. Inhibition of the protease is shown to prevent virus replication, but no inhibiting drug for use as a treatment has been approved yet. Using computational chemistry, interactions between potential drugs and the active site of the protease can be modeled to find a drug that strongly inhibits the protease. We have screened over 20 million drugs, and our preliminary data has discovered several promising drugs. The end goal is a novel drug that could treat those affected by Zika.

Keywords: Zika, Drug Design

Topic(s):Biochemistry and Molecular Biology
Chemistry
Computer Science

Presentation Type: Asynchronous Virtual Oral Presentation

Session: 3-11
Location: https://flipgrid.com/f86d186b
Time: 0:00

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