Background: Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a
novel member of the genus betacoronavirus in the Coronaviridae family. It has been identified as
the causative agent of coronavirus disease 2019 (COVID-19), spreading rapidly in Asia, America
and Europe. Like some other RNA viruses, RNA replication and transcription of SARS-CoV-2 rely
on its RNA-dependent RNA polymerase (RdRP), which is a therapeutic target of clinical
importance. Crystal structure of SARS-CoV-2 was solved recently (PDB ID 6M71) with some
Objective: We used SARS-CoV-2 RdRP as a target protein to screen for possible chemical
molecules with potential anti-viral effects.
Methods: Here we modelled the missing residues 896-905 via homology modelling and then
analysed the interactions of Hepatitis C virus allosteric non-nucleoside inhibitors (NNIs) in the
reported NNIs binding sites in SARS-CoV-2 RdRP.
Results: We found that MK-3281, filibuvir, setrobuvir and dasabuvir might be able to inhibit
SARS-CoV-2 RdRP based on their binding affinities in the respective binding sites.
Conclusion: Further in vitro and in vivo experimental research will be carried out to evaluate their
effectiveness in COVID-19 treatment in the near future.