Virtual Screening of Potential Inhibitors for SARS-CoV-2 Main Protease
April 2020
TLDR The document concluded that certain compounds might strongly bind to and potentially inhibit a key SARS-CoV-2 protein, but further testing is needed.
The document from April 2020 detailed a study that used molecular docking-based virtual screening to identify potential inhibitors for the SARS-CoV-2 Main Protease (Mpro), a protein essential for processing other viral proteins. The top 10 hits included Pictilisib, Nimorazole, Ergoloid mesylates, Lumacaftor, Cefuroxime, Cepharanhine, and Nilotinib. These compounds were predicted to have a higher binding affinity for SARS-CoV-2 Mpro than previously reported inhibitors, suggesting a higher potential to inhibit virus replication. However, the authors noted that in vitro and in vivo confirmation should be performed before these compounds could be translated to the clinic.
