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The docking scores of the emodin, aloe-emodin and quercetagetin and their interactions with the active site of Jun N-terminus kinase-1 (JNK1) enzyme crystal structure (PDB ID: 3V3V)
| Ligand | Docking Score (kcal/mol) | H-bond |
|---|---|---|
| Quercetagetin | -9.37 | GLU73, ASN114, ASP169, MET111 |
| Emodin | -8.46 | GLU73, ASN114, ASP169 |
| Aloe-emodin | -8.76 | SER34, GLU73, ASN114, ASP169 |
