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The docking scores of the emodin, aloe-emodin and 9Y5 and their interactions with the active site of p38alpha enzyme crystal structure (PDB ID: 5OMH)
| Ligand | Docking Score (kcal/mol) | H-bond | Halogen bond |
|---|---|---|---|
| 9Y5 | -5.9 | ASP168 | HIE107, MET109 |
| Emodin | -6.5 | GLY110, ASP112 | - |
| Aloe-emodin | -6.16 | LYS53, GLY110, MET109 | - |
