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Interactions between EA or EB and CYP isozymes by molecular docking.
| Compound | Isozymes | PDB ID | RMSD | Total score | H-bond number | Residues involved in H-bond formation |
|---|---|---|---|---|---|---|
| EA | CYP2C9 | 5W0C | 1.73 | 10.33 | 1 | A/Asn204 |
| CYP2C19 | 4GQS | 1.03 | 11.89 | 1 | A/Ala297 | |
| CYP2D6 | 3TBG | 1.49 | 8.38 | 2 | A/Ser304、A/Gol750 | |
| CYP3A4 | 6MA7 | 1.68 | 9.66 | 1 | A/Arg212 | |
| EB | CYP2C9 | 5W0C | 1.73 | 10.15 | 0 | - |
| CYP2C19 | 4GQS | 1.03 | 9.37 | 1 | A/Asn204 | |
| CYP2D6 | 3TBG | 1.49 | 7.99 | 1 | A/Asp301 | |
| CYP3A4 | 6MA7 | 1.68 | 10.57 | 1 | A/Phe304 |
