Binding energy of molecular docking between daucosterol and α-glucosidasea.
| Complex | Energy of molecular docking (kcal mol−1) | ΔGbinding (kcal mol−1) | |||||
|---|---|---|---|---|---|---|---|
| E binding | E vdw | E ele | E internal | E torsional | E unbond | ||
| Daucosterol–α-glucosidase | −9.55 | −13.00 | −0.43 | −3.39 | 3.88 | −3.39 | −9.55 |
E binding: predicted binding energy; Evdw: van der Waals energy; Eele: electrostatic energy; Einternal: total internal energy; Etorsional: torsional energy; Eunbond: unbound energy; ΔGbinding: calculated binding energy. ΔGbinding = Evdw + Eele + Einternal + Etorsional − Eunbond.