Table 7.
Docking parameters of top scorer drugs to target papain protease of SARS-COV-2 (PDB ID 6W9C).
Drugs | GScore | DScore | Lipophilic EVDW | HBond | EModel |
---|---|---|---|---|---|
Amodiaquine | −8.57 | −8.56 | −5.34 | −1.62 | −90.424 |
Afatinib | −8.53 | −7.49 | −5.22 | −0.32 | −88.913 |
Saquinavir | −8.4 | −8.38 | −5.78 | −1.99 | −105.105 |
SYL1655 | −8.15 | −8.11 | −7.76 | −0.48 | −86.282 |
Batefenterol | −8.09 | −8.03 | −5.23 | −1.49 | −116.512 |
Quarfloxin | −7.57 | −7.57 | −6.87 | −0.7 | −90.9 |
HCQ | −5.11 | −5.06 | −3.76 | −0.7 | −44.246 |
Remdesivir | −8.42 | −8.42 | −5.57 | −2.29 | −89.549 |
Campothecin | −7.68 | −7.68 | −6.52 | −0.42 | −72.146 |
Elvitegravir | −6.67 | −6.54 | −5.27 | −1.05 | −62.598 |
Plasmoquine | −5.77 | −5.54 | −4.44 | −0.85 | −58.285 |
Acalabrutinib | −4.84 | −4.82 | −4.72 | −0.04 | −73.443 |