Table 1 Seventeen top hits of flavonoids from the genus Erythrina against SARS-CoV-2 RdRp. The hits were screened from 473 flavonoids using molecular docking.
Structure | Group | Compound | Binding energy (kcal mol–1) |
|---|---|---|---|
| Flavone | Abyssinoside A (379) | –9.01 |
| Flavone | Abyssinoside B (380) | –8.47 |
| Flavanone | Abyssinone III (32) | –8.13 |
| Isoflavone | Erythribyssin L (325) | –7.87 |
| Flavone | Vogelin C (3) | –7.74 |
| Chalcone | 2,4,4ʹ-Trihydroxychalcone (126) | –7.67 |
| Ptereocarpan | Erybraedin D (310) | –7.64 |
| Ptereocarpan | Sophorapterocarpan A (Homoedudiol) (290) | –7.59 |
| Ptereocarpan | Erybraedin B (308) | –7.59 |
| Isoflavone | Ulexone A (464) | –7.59 |
| Chalcone | Isoliquiritigenin (115) | –7.57 |
| Ptereocarpan | Orientanol C (319) | –7.54 |
| Isoflavanone | Licoisoflavanone (183) | –7.52 |
| Ptereocarpan | Isoneorautenol (321) | –7.45 |
| Flavanone | Liquiritigenin-5ʹ-O-methyl ether (26) | –7.43 |
| Flavonol | 3,7,4′-Trihydroxyflavone (19) | –7.42 |
| Chalcone | Butein (119) | –7.41 |
