Table 3.
Chemical structure, name, docking or binding score, binding free energy, platform, and Protein Data Bank ID for best-reported drug candidates against the RdRp protein of SARS-CoV-2.
| Entry no. | Compound | Docking/binding score (kcal/mol) | Binding free energy (MM-GBSA) (kcal/mol) | Platform (Protein Data Bank ID) | Refs |
|---|---|---|---|---|---|
| 1 |
 Remdesivir |
−7.6 | – | Autodock (6NUR) | 44 |
| 2 |
 Ribavirin |
−7.8 | – | Autodock (6NUR) | 44 |
| 3 |
 Setrobuvir |
−9.3 | – | Autodock (6NUR) | 44 |
| 4 |
 Sofosbuvir |
−7.5 | – | Autodock (6NUR) | 44 |
| 5 |
 Favipiravir |
−4.0 | – | Autodock (6 M71, 7BV2) | 45 |
| 6 |
 F-RTP |
−6.6 | – | Autodock (6 M71, 7BV2) | 45 |
| 7 |
 Lonafarnib |
−7.6 | –25.53 | Vina 1.1.2 (7BW4) | 46 |
| 8 |
 Tegobuvir |
−7.8 | –24.44 | Vina 1.1.2 (7BW4) | 46 |
| 9 |
 Bedoradrine |
−8.961 | –84.58 | Schrodinger (6 M71) | 47 |
| 10 |
 Polymyxin B1 |
−12.646 | – | Schrodinger (6 M71) | 48 |