2017 Student Research Conference:
30th Annual Student Research Conference

Computational Drug Discovery for Zika Virus NS2B-NS3 Protease


Peter K. Windsor
Dr. Bill R. Miller, Faculty Mentor

The current Zika Virus outbreak has been linked to severe neurological disorders. There are no means for stopping this virus. A Zika Virus protein, NS2B-NS3 protease, has been identified to have polypeptolytic properties that help the virus replicate. Thus, this protein is a strong antiviral drug-target candidate. This protein was recently crystallized with a boron-based inhibitor, which makes it a promising drug development research project. In this project, different molecules were computationally simulated to interact with the NS2B-NS3 protease active site to inhibit the protein. The efficacy of the inhibitory molecule is then evaluated by using visual methods and calculations. These molecules were then compared to the efficacy of the boron-based inhibitor that was crystallized with the protein.

Keywords: Zika Virus, Biochemistry, Computational, Drug Discovery, Protein

Topic(s):Chemistry
Biology

Presentation Type: Oral Paper

Session: 103-4
Location: MG 1096
Time: 8:45

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