Table 2.
Docking scores against SARS-CoV-2-Mpro (PDB ID: 6Y2E) and predicted drug-likeness, lethal doses and bioavailability scores of individual phyto-flavonoids.
| Flavonoid class phytochemical |
Docking score (kcal/ mol) | Drug likeness | Lethal dose (kg/mg) | Bioavailability score |
|---|---|---|---|---|
| Apigenin | –8.28 | 0.39 | 2500 | 0.55 |
| Catechin | –8.86 | 0.64 | 10000 | 0.55 |
| Dihydroquercetin | –7.98 | 0.50 | 159 | 0.55 |
| Epigallocatechingallate | –7.69 | 0.23 | 1000 | 0.17 |
| Hesperidin | –8.48 | 0.94 | 12000 | 0.17 |
| Kaempferol | –7.91 | 0.50 | 3919 | 0.55 |
| LPRP-Et-97543 | –10.11 | 0.82 | 2000 | 0.55 |
| Quercetin | –8.33 | 0.52 | 159 | 0.55 |
| Quercetin-3-rhamnoside | –10.90 | 0.82 | 2300 | 0.17 |
| Rutin | –5.48 | 0.91 | 5000 | 0.17 |