International Journal of Phytomedicine and Phytotherapy
Table 3 Flavonoids with highest binding affinities on interacting with both PLpro and 3CLpro of SARS-CoV-2
Compound | PubChem CID | Binding Energy (Kcal/mol) with PLpro | Binding Energy (Kcal/mol) with 3CL pro |
|---|---|---|---|
Lopinavira | 92,727 | -9.1 | -7.3 |
Ritonavira | 392,622 | -8.5 | -7.1 |
Licorice | 163,463 | -11.8 | -7.6 |
Ugonin M | 135,891,244 | -10.1 | -7.6 |
Procyanidin | 107,876 | -9.8 | -7.6 |
Silymarin | 5213 | -9.7 | -8.0 |
Gallocatechingallate | 5,276,890 | -9.6 | -7.6 |
Isonymphaeol B | 10,070,991 | -9.3 | -8.7 |
Baicalin | 64,982 | -9.2 | -8.3 |