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Molecular docking analysis of studied compounds against SARS-CoV-2 Spro (6VSB).
| Ligand No | Ligands | Free Energy of Binding (kcal/mol) | H-bond | Salt Bridge | Hydrophobic |
|---|---|---|---|---|---|
| 1 | Nicotinamide | -4.5 | SER373 | - | PHE338, PHE342, LEU368 |
| 2 | NR | -5.7 | GLY339, ASP364, SER371, SER373 | - | PHE338, PHE342, LEU368 |
| 3 | Favipiravir | -5.2 | VAL341, ASN354, ALA397, SER399 | - | - |
| 4 | Ribavirin | -5.6 | ALA344, TRP436, ASN440 | - | - |
