Table 1.
Binding affinities to the SARS-CoV-2 Mpro in comparison with danoprevir, lopinavir, and ritonavir
| No. | Name of the Ligand | Binding Free Energy (kcal/mol) |
|---|---|---|
| 1 | 24(OH)L3 | −8.3 |
| 2 | 25(OH)L3 | −8.0 |
| 3 | 20S(OH)7DHC | −8.0 |
| 4 | 22R(OH)7DHC | −7.8 |
| 5 | 20S(OH)L3 | −7.8 |
| 6 | 25(OH)7DHC | −7.7 |
| 7 | 1,25(OH)2D3 | −7.6 |
| 8 | 20S(OH)D3 | −7.6 |
| 9 | 7-DHP | −7.5 |
| 10 | 25(OH)D3 | −7.3 |
| 11 | Danoprevir | −8.5 |
| 12 | Lopinavir | −8.3 |
| 13 | Ritonavir | −7.2 |