Virtual screening for finding inhibitor against the main protease of SARS-Cov-2 from the FDA-approved drugs database

At the end of 2019, a new coronavirus suddenly broke out all over the world. To date, there is still no targeted medicine available for the treatment of this disease. Vaccine is essential for controlling the epidemic of SARS-CoV-2. But the effective of vaccine was reduced because of the SARS-CoV-2 constant mutation. It is gratifying that scientist uncover the infection mechanisms of the SARS-CoV-2. The main protease of SARS-CoV-2 is highly conserved and plays an important role of the life cycle of virus. Therefore, we executed virtual screening on the FDA-approved database and hoped to find a potential candidate against the main protease. As a result, we obtained eight available active compounds derived from the database through molecular dynamics simulations. As antiviral treatment candidates, the drugs can also be used to clinical emergencies.