Table 1. The highest binding energy of drug molecules with the S protein in molecular docking simulations.
Drug and drug treatment | S-binding energy (kcal/mol) |
---|---|
tizoxanide | -9.38 |
dolutegravir | -8.96 |
arbidol | -8.86 |
bictegravir | -8.72 |
oseltamivir carboxylate | -7.66 |
hydroxychloroquine | -7.50 |
chloroquine | -7.48 |
saquinavir | -6.72 |
darunavir | -5.56 |
favipiravir-4-ribofuranosyl-5’-triphosphate | -5.56 |
favipiravir-4-ribofuranosyl-5’- monophosphate | -5.40 |
lopinavir | -5.17 |
ribavirin 5’-monophosphate | -5.15 |
remdesivir triphosphate | -4.57 |