TABLE 6.
Drug | MolDock score | Protein – ligand interactions | H-bonds | Interacting amino acids |
Camostat (+ control) | –131.596 | –163.157 | –15.210 | Gln438, Asp435, Ser436, Val473 |
Chloroquine | –92.252 | –116.167 | –0.908 | Ser436 |
Hydroxychloroquine | –113.593 | –139.090 | –8.426 | His 296, Ser441, Ser436 |
Ivermectin | –174.971 | –180.548 | –7.493 | Glu299, Gln438, Ser441 |
Remdesivir | –117.540 | –142.941 | –6.311 | Ser441, Gln438 |
Favipiravir | –84.160 | –98.110 | –18.231 | Gly265, Trp267, Gln270, Leu360, Ile314 |