Date:10/21/2020 from 9-10am by Global *CENTRA project via ACIS Lab, University of Florida.* globalcentra.org
Speaker: Dr. Sangjae Seo,(KISTI) Korea Institute of Science and Technology Information
Continuing global pandemic of coronavirus diseases (COVID-19) is a serious threat to global health. Drug repurposing is an attractive approach for the immediate development of treatments for COVID-19. In this regards, it is important to perform high-throughput screening on approved drugs for rapid identification of drug candidates. Our approach utilizing supercomputer resource allowed fast screening of 19,168 drug molecules. We targeted to identify potential drug candidates, which can inhibit the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Based on the docking calculation and molecular dynamics simulation, we selected 8 drugs as potential candidates, and in-vitro test is undergoing to validate calculation results.