Discovery of SARS-CoV-2 Antiviral Drugs Through Large-Scale Virtual Screening of FDA-Approved Drugs
摘要
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the etiological agent responsible for the viral pneumonia outbreak of coronavirus disease 2019 (COVID-19). Because of the time-consuming process of new drug development, drug repositioning may be the only solution to this epidemic. By performing structure-based virtual screening, two targets Mpro and RNA-dependent RNA polymerase were screened against 2659 FDA-approved drugs. As a result, three drugs can block both targets based on their good binding affinity and lower binding. This study provides new lead compounds for further in vitro and in vivo studies and new insights for those drugs currently ongoing clinical studies to treat this infection.