TABLE 2.
Docking of the RdRp and nsp14 to selected drugs.
| Viral protein | MolDock score | Protein – Ligand interactions | H-bonds | Interacting amino acids | |
| Chloroquine | RdRp | –90.087 | –115.579 | –2.500 | Lys621 |
| nsp14 | –101.345 | –118.748 | –0.556 | Tyr368 | |
| Hydroxychloroquine | RdRp | –100.690 | –108.835 | –2.491 | Tyr619 |
| Nsp14 | –95.934 | –115.677 | –10.225 | Gly333, ASP352, Trp385, Cys387 | |
| Ivermectin | RdRp | –149.990 | –147.608 | –13.551 | Cys622, Asp760 |
| Nsp14 | –212.265 | –215.323 | –13.079 | Gln313, Asn334, Ala353, Tyr386, Cys387 | |
| Remdesivir | RdRp | –160.418 | –173.270 | –24.247 | Arg553, Arg555, Thr556, Tyr619, Lys621, Cys622, Asp623 |
| Nsp14 | –137.866 | –165.993 | –8.666 | Trp385, Asn386, Cys387, Gln354 | |
| Favipiravir | RdRp | –63.807 | –77.835 | –4.999 | Asn628, Pro677 |
| Nsp14 | –49.083 | –63.368 | –5.969 | Asp352, Ala353 |
RdRp: RNA dependent RNA polymerase protein (PDB id = 6M71). Nsp14: The 3D homology model of the SARS-CoV-2 nsp14 was built using the SWISS-MODEL online tool.