NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2025, Vol. 37 ›› Issue (4): 707-722. doi: 10.16333/j.1001-6880.2025.4.013 cstr: 32307.14.1001-6880.2025.4.013

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Study on the mechanism of Yuye Detoxification Particle in the treatment of upper respiratory infection based on UPLC-Q-TOF-MS and network pharmacology

FENG Xiao-long1,LI Peng-hui1,LONG Hong-ping2,CHEN Jun3,CHEN Kai-yi3,JIANG Jin-sheng3,CAI Yuan1*,PENG Yan-mei1*   

  1. 1Hunan Academy of Traditional Chinese Medicine,Changsha 410013,China; 2The First Hospital of Hunan University of Chinese Medicine,Changsha 410007,China; 3Sanjin Group Hunan Sanjin Pharmaceutical Co.Ltd.,Changde 415000,China

  • Online:2025-04-30 Published:2025-04-27

Abstract:

In this study,ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF-MS) technology was employed to analyze the blood components of rats after intragastric administration of Yuye Detoxification Particle and investigate their main metabolic processes in vivo.Additionally,network pharmacology and in vitro experiments were combined to analyze and verify the potential mechanism of the blood components in the treatment of upper respiratory infection (URI).Following consecutive 7-day intragastric administration of the test substance to SD rats,serum samples were collected.UPLC-Q-TOF-MS was then utilized to conduct data acquisition on these serum samples in both positive and negative ion modes.Combined with the previous in vitro chemical composition mass spectrometry data and the extraction of the accurate mass-to-charge ratio and other information of each chemical composition,the prototype components and metabolites of Yuye Detoxification Particle in rats were identified.Through network pharmacology analysis,the potential mechanism of blood components in treating URI was analyzed,and a visualized network diagram was established to screen active ingredients and verify the anti-inflammatory effects in vitro.As a result,a total of 21 prototype components and 23 metabolites were detected in rats.Network pharmacology analysis revealed that 74 overlapping targets exist between the blood-absorbed prototype components and those related to URI disease.GO enrichment analysis yielded 441 biological processes,57 cellular components,and 79 molecular functions.KEGG enrichment analysis obtained 30 intervention pathways related to URI.It is predicted that Yuye Detoxification Particle mainly treat URI through pathways such as inflammation,immune regulation,antiviral,and anti-lung injury.Protein-protein interaction analysis obtained 13 core targets such as interleukin-6,tumor necrosis factor,and protein kinase Bα.Molecular docking further verified that five chemical components,namely luteolin,acacetin,chlorogenic acid,shanzhiside methyl ester,and mussaenoside acid methyl ester,have good binding ability with 13 core targets.In vitro experiment results showed that the five selected active ingredients all had significant anti-inflammatory activity and showed an obvious concentration gradient dependence.In conclusion,this study laid a foundation for the research on the chemical substance group of Yuye Detoxification Particle,initially revealed the complex regulatory mechanism of its treatment to URI,and provided a theoretical basis for further in-depth research on the mechanism of action.

Key words: Yuye Detoxification Particle, UPLC-Q-TOF-MS, blood component, metabolites, network pharmacology, upper respiratory infection

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