Evidence-Based Complementary and Alternative Medicine / 2017 / Article / Tab 3

Research Article

Interactions of Desmethoxyyangonin, a Secondary Metabolite from Renealmia alpinia, with Human Monoamine Oxidase-A and Oxidase-B

Table 3

Docking scores and MM/GBSA binding energies of preferred binding poses of desmethoxyyangonin 6 in MAO-A and MAO-B.

MethodsMAO-MAO-

−3.89−7.98
MM/−35.10−62.95

monoamine oxidase-A (pdb id: 2Z5X). monoamine oxidase-B (pdb id: 1OJ9). scores obtained by using extra precision module (Kcal/mol). free energy that does not include contributions from receptor or ligand strain (Kcal/mol).

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