The Prediction of Antioxidant Q-Markers for Based on the Dynamics Change in Chemical Compositions and Network Pharmacology.

OBJECTIVE

To clarify the accumulation and mutual transformation patterns of the chemical components in () and predict the quality markers (Q-Markers) of its antioxidant activity.

METHOD

The types of and content changes in the chemical components in various parts of during different periods were analyzed by using gas chromatography-mass spectrometry technology (GC-MS). The antioxidant effect of the Q-Markers was predicted using network pharmacological networks, and molecular docking was used to verify the biological activity of the Q-Markers.

RESULT

The differences in the content changes in the coumarin compounds in different parts were found by using GC-MS technology, with the relative content being the best in the root, followed by the leaves, and the least in the stems. The common components were used as potential Q-Markers for a network pharmacology analysis. The component-target-pathway-disease network was constructed. In the molecular docking, the Q-Markers had a good binding ability with the core target, reflecting better biological activity.

CONCLUSIONS

The accumulation and mutual transformation patterns of the chemical components in different parts of were clarified. The predicted Q-Markers lay a material foundation for the establishment of quality standards and a quality evaluation.