Skip to main content
. 2021 Jan 25;16(1):e0245975. doi: 10.1371/journal.pone.0245975

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