In silico approaches to drug repositioning for COVID-19 at AMED-BINDS

Abstract

In silico prediction based on the protein structures of SARS-CoV2 is effective to find the putative drug candidates from the approved drugs, as drug repositioning. The main protease, 3CL protease, of SARS-Cov2 is essential for proteolytic maturation of the virus, and inhibiting its function could prevent the COVID-19 spreading. Here, recent activities in the in-silico unit of AMED-BINDS are introduced.