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Molecular docking between remdesivir and ribavirin and the SARS-CoV-2 spike (S) protein/ACE2.
| Ligand | Molecular formula | Molecular docking | Binding energy (kcal/mol) | Binding sites | Distance(Å) |
|---|---|---|---|---|---|
| Remdesivir | C27H35N6O8P |
|
− 7.0 | K68 | 2.0 |
| Q493 | 2.3 | ||||
| Ribavirin | C18H26CIN3 |
|
− 6.59 | K353 | 2.2 |
| R403 | 2.1 | ||||
| Q493 | 2.0 | ||||
| G496 | 1.9 |
