Skip to main content
. 2020 Sep 24;163:1687–1696. doi: 10.1016/j.ijbiomac.2020.09.138

Table 2.

Molecular docking results of FDA drugs with the wild type SARS-CoV-2 helicase.

Drug name Glide energy Glide emodel XP GScore XP HBond XP Lipophilic EvdW XP Electro MMGBSA dG Bind
Cangrelor −64.566 −88.135 −11.478 −3.016 −2.762 −1.454 −47.46
Pemetrexed −56.766 −75.064 −10.192 −2.887 −1.992 −1.117 −38.65
Fludarabine −48.921 −57.730 −9.769 −3.850 −1.288 −1.736 −19.86
Folic acid −58.839 −87.011 −9.424 −3.012 −2.014 −1.439 −32.18
Cidofovir −42.543 −52.251 −9.204 −3.884 −1.187 −1.637 −18.76
Zanamivir −34.220 −49.983 −9.186 −6.762 −0.791 −1.617 −25.45
Polydatin −53.163 −69.046 −7.276 −2.843 −3.182 −1.326 −44.52
Sapropterin −33.493 −43.767 −6.904 −4.104 −1.357 −1.199 −23.80
Ertapenem −51.556 −68.522 −6.782 −2.810 −2.294 −1.185 −9.16
Ribavirin −42.006 −47.391 −6.549 −2.873 −1.121 −2.274 −23.49

Drugs interacted with both enzymes are shown in bold. Values are in kcal/mol.