Computational Drug Design to Inhibit the Zika NS2B/NS3 Protease

Elizabeth E. Cremer
Dr. Bill R. Miller, Faculty Mentor

The Zika Virus 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 be passed onto a fetus resulting in birth defects. There is currently no vaccination or medication to prevent or treat it. 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 in to find a drug that strongly inhibits the protease. We have screened over 20 million drugs, and we are further analyzing the most 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

Presentation Type: Oral Presentation

Session: TBA
Location: TBA
Time: TBA