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基于网络药理学和分子对接技术探索补肺汤治疗支气管哮喘的作用机制

Exploring the Mechanism of Bufei Decoction in the Treatment of Bronchial Asthma Based on Network Pharmacology and Molecular Docking.

作者信息

Han Yong-Guang, Lv Xing, Tan Ya-Lan, Ding Yun-Shan, Zhang Chao-Yun, Bian Hua

机构信息

School of Pharmacy, Henan University of Chinese Medicine, Zhengzhou, China.

Henan Key Laboratory of Zhang Zhong-jing Formulae and Herbs for Immunoregulation, Nanyang Institute of Technology, Nanyang 473004, China.

出版信息

Comb Chem High Throughput Screen. 2025;28(5):768-780. doi: 10.2174/0113862073285566240223144925.

Abstract

BACKGROUND

Bufei decoction (BFD) is used in clinical practice to treat bronchial asthma (BA), although its molecular mechanism of action remains unclear.

OBJECTIVE

This study aimed to explore the molecular mechanism of BFD for treating BA.

METHODS

Network pharmacology and molecular docking predicted the molecular mechanism and the analysis results were verified using the ELISA kit and RT-qPCR.

RESULTS

There were 58 main active components and 121 potential targets in the BFD from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform( TCMSP), and 11 core targets were obtained from the protein-protein interactions(PPI) network. The gene ontology (GO) analysis found that the treatment of BA with BFD was mainly related to inflammatory reaction, membrane raft, cytokine activity, etc. The Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis showed that it was mainly related to interleukin (IL)-17 signaling pathway, tumor necrosis factor (TNF) signaling pathway, PI3KAkt signaling pathway, etc. The molecular docking results showed that the main active ingredients had strong binding ability with core targets. BFD significantly reduced the TNF-α, IL-6, and IL-1β and increased the level of IL-10 in rats with BA. BFD also significantly reduced the mRNA level of PI3K, AKT1, and VEGFA while increasing the mRNA level of TP53 in rats.

CONCLUSION

This study used network pharmacology methods to predict the potential active ingredients, targets, and pathways of BFD in treating BA and explore its possible molecular mechanism, which provided a theoretical basis for further study.

摘要

背景

补肺汤(BFD)在临床中用于治疗支气管哮喘(BA),但其分子作用机制尚不清楚。

目的

本研究旨在探讨补肺汤治疗BA的分子机制。

方法

采用网络药理学和分子对接预测分子机制,并使用ELISA试剂盒和RT-qPCR验证分析结果。

结果

从中药系统药理学数据库及分析平台(TCMSP)中获取补肺汤的58种主要活性成分和121个潜在靶点,通过蛋白质-蛋白质相互作用(PPI)网络获得11个核心靶点。基因本体(GO)分析发现,补肺汤治疗BA主要与炎症反应、膜筏、细胞因子活性等有关。京都基因与基因组百科全书(KEGG)通路富集分析表明,其主要与白细胞介素(IL)-17信号通路、肿瘤坏死因子(TNF)信号通路、PI3KAkt信号通路等有关。分子对接结果显示,主要活性成分与核心靶点具有较强的结合能力。补肺汤显著降低BA大鼠的TNF-α、IL-6和IL-1β水平,提高IL-10水平。补肺汤还显著降低BA大鼠PI3K、AKT1和VEGFA的mRNA水平,同时提高TP53的mRNA水平。

结论

本研究运用网络药理学方法预测补肺汤治疗BA的潜在活性成分、靶点和通路,探讨其可能的分子机制,为进一步研究提供了理论依据。

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