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 |