TABLE 4.
Docking of SARS-CoV-2 M and N proteins against different drugs.
| Drug | Viral protein | MolDock score | Protein – ligand interactions | H-bonds | Interacting amino acids |
| Chloroquine | M | –111.217 | –125.281 | 0.000 | – |
| N | –103.199 | –123.884 | –5.000 | Tyr123, Trp132 | |
| Hydroxychloroquine | M | –124.335 | –135.866 | –7.441 | Cyc33, Gln36 |
| N | –103.213 | –120.328 | –10.573 | Arg68, Tyr123, Trp132 | |
| Ivermectin | M | –135.950 | –153.929 | –3.158 | Trp31, Ala 81 |
| N | –136.473 | –134.935 | –10.777 | Gln160, Leu161, Gly164, Thr166 | |
| Remdesivir | M | –180.716 | –184.156 | –8.744 | Tyr204 |
| N | –126.986 | –151.502 | –21.271 | Asn75, Asn77, His145, Asn154 | |
| Favipiravir | M | –59.714 | –74.258 | –7.998 | Cys33, Arg200, Ile201 |
| N | –71.807 | –93.349 | –21.578 | Phe66, Pro67, Gly69, Gln70, Tyr123, Trp132, Ala134 |
M, Matrix protein; N, Nucleocapsid phosphoprotein (PDB id: 6VYO).