TABLE 5.
Docking scores of different drugs against human ACE-2 protein.
| Drug | MolDock score | Protein – ligand interactions | H-bonds | Interacting amino acids (H-bonding) |
| MLN-4760 | –154.736 | –136.555 | –15.331 | Arg273, His345, Pro346, Thr371, Tyr515 |
| Chloroquine | –101.590 | –121.396 | –4.752 | Asn394, Gly395 |
| Hydroxychloroquine | –120.165 | –134.164 | –12.276 | Arg273, Ala348, Glu375, Arg514 |
| Ivermectin | –159.754 | –176.371 | –22.162 | Arg273, Glu398, Ser511, Arg514, Tyr515 |
| Remdesivir | –147.110 | –155.467 | –17.407 | Asn394, Glu402, Glu406, Arg514 |
| Favipiravir | –68.998 | –83.943 | –14.432 | Asn394, Gly395, Asn397, Glu398, Arg514 |