| Viral Protein | Inhibitor | AutoDock binding free energy (Kcal/mol) | AutoDock inhibition constant, Ki (µM) | RMSD for the ligand from the reference structure (Å) |
| PL-pro Protease (PDB ID: 2FE8) | S1 | −7.71 | 2.24 | 76.636 |
| S2 | −6.25 | 26.29 | 74.940 | |
| S3 | −7.46 | 3.42 | 74.533 | |
| S4 | −6.46 | 18.30 | 75.068 | |
| S5 | −6.89 | 8.94 | 77.478 | |
| S6 | −7.45 | 3.49 | 61.06 | |
| S7 | −5.35 | 120.19 | 60.317 | |
| M-pro Protease (PDB ID: 7LU6) | S1 | −5.06 | 196.76 | 65.892 |
| S2 | −4.99 | 220.82 | 60.697 | |
| S3 | −4.79 | 309.06 | 60.494 | |
| S4 | −4.61 | 414.92 | 77.509 | |
| S5 | −4.84 | 281.83 | 62.522 | |
| S6 | −4.84 | 284.65 | 74.812 | |
| S7 | −1.81 | 46.84*103 | 62.307 |