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Binding energy values (docking score) and interactions between the top 3 flavonoids and key residues of RBD of nCoV-SP in PyRx along with the respective H-bonds and bond lengths.
| Flavonoids | Binding energy (kcal/mol) | Key residues interraction | H-bonds | Bond length (Å) |
|---|---|---|---|---|
| Hesperidin | -8.6 | SER 494 | O6-O | 2.71 |
| TYR 505 | O11-OH | 3.05 | ||
| Naringin | -8.3 | GLN 493 | O14-OE1 | 3.09 |
| SER 494 | O11-O | 2.92 | ||
| Epigallocatechin gallate (EGCG) | -8.1 | GLN 498 | O6-NE2 | 2.81 |
| ASN 501 | O8-ND2 | 3.23 |
