2018 Student Research Conference:
31st Annual Student Research Conference

Computational Drug Design for Inhibition of ZIKA NS2B-NS3 Protease


Yu Xuan Lin
Dr. Bill Miller, Faculty Mentor

Due to the lack of approved treatments for the ZIKA Virus (ZIKV), there is an urgent need for an antiviral drug. Since ZIKV relies on its viral NS2B-NS3 protease for replication and host cell invasion, this project will focus on the active site of the protease enzyme. We utilize a computational approach to drug design by analyzing the specific amino acids in the active site of the protease. We will begin with screening of existing drug like compounds and then design a novel inhibitor based on trends observed. Building on current understanding of the ZIKV mechanisms, we hope to provide a better understanding of ZIKV and develop a structurally and thermodynamically favored inhibitor suitable for creating an antiviral drug. 

Keywords: Computation Chemistry, Chemistry, Drug Design, ZIKA Virus

Topic(s):Chemistry

Presentation Type: Oral Paper

Session: 204-2
Location: MG 1098
Time: 9:45

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