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Molecular docking results of top 3 lead molecules of SARS-CoV-2 Nsp14 along with the control inhibitor.
| Molecule | Structure | SARS-CoV-2 Nsp14 |
|
|---|---|---|---|
| Binding energy (kcal/mol) | Inhibition constant (Ki) | ||
| Paritaprevir (PTV) |  |
−13.29 | 181.23 pM |
| Simeprevir (SMV) |  |
−13.26 | 190.01 pM |
| Grazoprevir (GZR) |  |
−12.16 | 1.22 nM |
| Sinefungin (SF) |  |
−6.73 | 11.72 μM |
