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. 2021 Feb 15:1–14. doi: 10.1080/07391102.2021.1885495

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