Table 2 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 |