Skip to main content
. 2021 May 25:1–30. doi: 10.1080/07391102.2021.1913228

Table 6.

Docking Parameters for top scoring drugs with main protease of SARS-COV-2 (PDB ID 5R80).

Drugs GScore DScore Lipophilic EVDW Hbond EModel
Afatinib −9.04 −7.86 −5.44 −2.03 −82.179
Tezacaftor −8.77 −8.77 −3.44 −3.75 −73.611
EKB-569 −8.48 −7.29 −4.91 −0.6 −80.502
Saquinavir −8.0 −8.32 −4.46 −1.96 −113.245
Batefenterol −7.75 −6.95 −3.46 −0.56 −77.398
Alatrofloxacin −7.48 −6.23 −3.73 −2.9 −80.502
Elvitegravir −7.4 −7.2 −5.23 −1.3 −83.219
Amodiaquine −6.3 −6.3 −4.52 −1.57 −63.984
Remdesivir −8.02 −8.018 −5.22 −2.73 −82.640
HQ −5.3 −5.2 −1.2 −0.6 −82.284
Acalabrutinib −4.32 −4.31 −3.85 −0.82 −72.269
Plasmoquine −4.01 −3.78 −3.85 −0.5 −40.857