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MM-PBSA score of the top four curcumin-based compounds.
| Complex | ΔGbind (kcal/mol) |
|---|---|
| Curcumin-p38α | −141.727 |
| Bisdemethoxycurcumin-p38α | −132.758 |
| Cyclocurcumin-p38α | −151.455 |
| Demethoxycurcumin-p38α | −133.56 |
MM-PBSA, molecular mechanics Poisson-Boltzmann surface area.
