An integrated approach based on ultra‐performance liquid chromatography‐quadrupole time‐of‐flight mass spectrometry, network pharmacology, and molecular docking to study the key effective compounds and mechanism of action of Platycodi Radix in the treatment of chronic obstructive pulmonary disease

作用机理 体内 药理学 系统药理学 化学 对接(动物) 信号转导 计算生物学 医学 体外 生物化学 生物 药品 生物技术 护理部
作者
Meiyuan Wang,Shu-Hua Pei,Li Xie,Hanlin Li,Shi Tang,Yuwen Li,Ziyi Chen,Liu Shu,Zhongying Liu
出处
期刊:Journal of Separation Science [Wiley]
卷期号:46 (21)
标识
DOI:10.1002/jssc.202300398
摘要

Platycodi Radix (PR) is a valuable herb that is widely used in the treatment of chronic obstructive pulmonary disease in clinics. However, the mechanism of action for the treatment of chronic obstructive pulmonary disease remains unclear due to the lack of in vivo studies. Our study established a novel integrated strategy based on ultra-performance liquid chromatography coupled with time-of-flight mass spectrometry, network pharmacology, and molecular docking to systematically analyze the tissue distribution and active compounds of PR in vivo and the therapeutic mechanism of chronic obstructive pulmonary disease. First, tissue distribution studies have shown that the lung is the organ with the highest distribution of PR compounds. Subsequently, network pharmacology results showed that the tumor necrosis factor signaling pathway, interleukin-17 signaling pathway, and mitogen-activated protein kinase signaling pathway were the critical mechanisms of PR against chronic obstructive pulmonary disease. Ultimately, molecular docking results showed that the key targets were stably bound to the corresponding active compounds of PR. Our study is of great significance for the screening of the key effective compounds and the study of the mechanism of action in traditional Chinese medicine and provides data to support the further development and utilization of PR.
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