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

Abstract

Objective: To clarify the accumulation and mutual transformation patterns of the chemical components in Angelica dahurica (A. dahurica) 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 A. dahurica 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 A. dahurica were clarified. The predicted Q-Markers lay a material foundation for the establishment of quality standards and a quality evaluation.

Chemical profiling and arginine kinase inhibitory activity of Angelica dahurica leaves

“…For instance, α-pinene, β-phellandrene, β-terpinene, 3-carene, β-cubebene and ocimene and so on existed both in A. dahurica leaves and roots but with their relative contents differed in these two parts. Gao et al [ 18 ] applied GC-MS for comparing the volatile profiles of A. dahurica roots, leaves and stems during different growth periods. However, methanol instead of hexane was used for chemical extraction that making the results incomparable with the present study.…”