Quality evaluation of the classical prescription, Danggui Jianzhong decoction, using ultra‐high‐performance liquid chromatography fingerprint, chemical pattern recognition, and network pharmacology

汤剂 指纹(计算) 传统医学 化学成分 医学 化学 色谱法 人工智能 计算机科学
作者
Yu Feng,Jingnan Hu,Fengxia Wang,Baolin Li,Qian Qi,Xinguo Wang,Niu L
出处
期刊:Journal of Separation Science [Wiley]
卷期号:45 (20): 3838-3851 被引量:7
标识
DOI:10.1002/jssc.202200327
摘要

Danggui Jianzhong decoction is a classical prescription that has been widely used for thousands of years. However, the quality of this formula is difficult to control owing to its complex chemical component system. In this study, a simple and efficient method comprising ultra‐high‐performance liquid chromatography fingerprint, chemical pattern recognition, and network pharmacology was established to evaluate the quality of this decoction. A total of 20 common peaks were obtained by fingerprint analysis and 19 chemicals were identified. The fingerprint similarity of 15 batch samples ranged from 0.963 to 0.991. Chemical pattern recognition analysis could clearly classify 15 batches of Danggui Jianzhong decoction into three groups. Further, seven chemical markers were screened out. A herbs‐active components‐targets‐disease network was constructed and enrichment analyses were performed, which indicated that these 19 chemical components are the medicinal substances of Danggui Jianzhong decoction. Further, the mechanism employed by this formula to treat primary dysmenorrhea may be related to the regulation of inflammatory response. In conclusion, this combination approach enables accurate evaluation and prediction of the quality of Danggui Jianzhong decoction, and lays the foundation for studies on the material basis and exploration of the mechanism of Danggui Jianzhong decoction in the treatment of primary dysmenorrhea.
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