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The ΔG of binding for phenylpropanoids was calculated by the molecular docking program AutoDock Vina for the most probable poses.
| Reducing Substrate | ΔGbinding |
|---|---|
| kcal mol−1 | |
| Ferulate | −6.4 |
| Coniferyl alcohol | −6.7 |
| Coniferyl aldehyde | −6.2 |
| Sinapate | −7.2 |
| Sinapic alcohol | −7.5 |
| Sinapic aldehyde | −7.1 |
| p-Coumarate | −5.9 |
| p-Coumaryl alcohol | −5.9 |
| p-Coumaryl aldehyde | −5.9 |
| Caffeate | −6.4 |
| Caffeic alcohol | −6.2 |
| Caffeic aldehyde | −6.2 |
