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The binding affinity energy obtained for the studied compounds interacting with the COX-2 (PDB code 5KIR) receptor.
| COX-2 [77] | |||
|---|---|---|---|
| Compound | Affinity Energy [kcal/mol] | Compound | Affinity Energy [kcal/mol] |
| 4(E) | −9.3 | 4(S) | −9.4 |
| 5(E) | −10.8 | 5(S) | −9.4 |
| 6(E) | −9.8 | 6(S) | −10.2 |
| 7(E) | −10.0 | 7(S) | −9.5 |
| 8(E) | −9.6 | 8(S) | −9.1 |
| 9(E) | −10.1 | 9(S) | −9.6 |
| 10(E) | −10.0 | 10(S) | −9.4 |
| 11(E) | −11.4 | 11(S) | −10.2 |
| 12(E) | −10.2 | 12(S) | −9.7 |
| 13(E) | −10.8 | 13(S) | −10.9 |
| RCX/MXM | −10.9/−9.9 | Piroxicam | −9.8 |
