Preserved in Portico This version is not peer-reviewed
Simeprevir, Potential Candidate to Repurpose for Coronavirus Infection: Virtual Screening and Molecular Docking Study
: Received: 27 February 2020 / Approved: 28 February 2020 / Online: 28 February 2020 (13:14:38 CET)
Coronavirus disease 2019 (COVID-19) has been first appeared in Wuhan, China but its fast transmission, led to its widespread prevalence in various countries and make it a global concern. In addition, lack of a definitive treatment is another concern that needs to be attention. Researchers have come up with several options, which are not certain, but protease inhibitor and some antiviral agent are in the forefront. In this study a virtual screening procedure employing docking of different databases including 1615 FDA approved drugs was used to identify new potential small molecule inhibitors for protease protein of COVID-19. The docking result indicates that among all, simeprevir (Hepatitis C virus (HCV) NS3/4A protease inhibitor) could fit well to the binding pocket of protease and because of some other positive features including ADME profile, might be a helpful treatment option for COVID-19.
COVID-19; Simeprevir; Protease inhibitor; Virtual screening; Docking
Chemistry and Materials Science, Medicinal Chemistry
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.
* All users must log in before leaving a comment