钟仁兴, 丁子禾, 杨燕妮, 夏天乙, 王武静, 王毅, 王艳慧, 舒尊鹏. 基于网络药理学分析的橘红痰咳液主治“痰、咳、喘”的药效物质基础与作用机制研究J. 药学学报, 2020,55(9): 2134-2144. doi: 10.16438/j.0513-4870.2020-0247
引用本文: 钟仁兴, 丁子禾, 杨燕妮, 夏天乙, 王武静, 王毅, 王艳慧, 舒尊鹏. 基于网络药理学分析的橘红痰咳液主治“痰、咳、喘”的药效物质基础与作用机制研究J. 药学学报, 2020,55(9): 2134-2144. doi: 10.16438/j.0513-4870.2020-0247
ZHONG Ren-xing, DING Zi-he, YANG Yan-ni, XIA Tian-yi, WANG Wu-jing, WANG Yi, WANG Yan-hui, SHU Zun-peng. Study on the pharmacodynamic material basis and mechanisms of Ju-Hong Tan-Ke liquid for the treatment of “phlegm, cough, and asthma” based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2020,55(9): 2134-2144. doi: 10.16438/j.0513-4870.2020-0247
Citation: ZHONG Ren-xing, DING Zi-he, YANG Yan-ni, XIA Tian-yi, WANG Wu-jing, WANG Yi, WANG Yan-hui, SHU Zun-peng. Study on the pharmacodynamic material basis and mechanisms of Ju-Hong Tan-Ke liquid for the treatment of “phlegm, cough, and asthma” based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2020,55(9): 2134-2144. doi: 10.16438/j.0513-4870.2020-0247

基于网络药理学分析的橘红痰咳液主治“痰、咳、喘”的药效物质基础与作用机制研究

Study on the pharmacodynamic material basis and mechanisms of Ju-Hong Tan-Ke liquid for the treatment of “phlegm, cough, and asthma” based on network pharmacology

  • 摘要: 应用网络药理学的方法研究橘红痰咳液组方发挥止咳、平喘、化痰作用可能的药效物质基础及其分子机制。对橘红痰咳液8味药中共24个目标化合物的潜在作用靶点和作用通路进行搜集、筛选和预测,根据功效进行分组,结合文献数据库的佐证分析,对该方不同组分作用于不同病症的分子机制进行探究,剖析其配伍作用规律,并运用分子对接软件对部分关键靶点及其对应成分进行分子对接,验证网络分析结果。结果发现橘红痰咳液中的主要活性成分可能为柚皮苷、L-麻黄碱、白前苷元C、苦杏仁苷、五味子甲素、新对叶百部碱、茯苓酸和甘草酸,3个功效组或通过作用于毒蕈碱型胆碱受体M1、乙酰胆碱酯酶、β2肾上腺素能受体、前列腺素内过氧化物合酶2、肿瘤坏死因子、表皮生长因子受体等关键基因靶点以及神经活性配体-受体相互作用、胆碱能突触、Ca2+信号通路、NF-kappa B信号通路、MAPK信号通路、PI3K-Akt信号通路等重要生物通路来发挥止咳、平喘、化痰的作用。本课题分析得到橘红痰咳液发挥功效可能的药效物质基础及其作用机制,为该方提升质量控制标准奠定了研究基础,为其进一步二次开发、在临床上扩大使用范围的潜在可能提供了参考依据。

     

    Abstract: The pharmacodynamic material basis and mechanisms of Ju-Hong Tan-Ke liquid (JHTKL) for its anti-tussive, anti-asthmatic and expectorant effects were investigated by using network pharmacology. We collected, screened, and predicted potential targets and signaling pathways for 24 compounds in the 8 herbs of JHTKL and grouped them according to their efficacy. Combined with the evidence analysis in the literature database, we explored molecular mechanisms of the components of this formula in different diseases and analyzed their compatibility laws. To verify the network analysis results, we used software to perform molecular docking of a part of the pivotal targets with their corresponding compounds. The results show that the main active ingredients in JHTKL may be naringin, L-ephedrine, glaucogenin C, amygdalin, deoxyschizandrin, neotuberostemonine, pachymic acid and glycyrrhizic acid. Moreover, efficacy groups of JHTKL may play a role by acting on pivotal gene targets such as the muscarinic acetylcholine receptor M1, acetylcholinesterase, beta-2 adrenergic receptor, prostaglandin G/H synthase 2, tumor necrosis factor, epidermal growth factor receptor and biological pathways such as the neuroactive ligand-receptor interaction, cholinergic synapses, calcium signaling pathway, NF-kappa B signaling pathway, MAPK signaling pathway, and PI3K-Akt signaling pathway. In this study, we have confirmed the pharmacodynamic material basis and mechanisms of JHTKL by using network pharmacology, laying a foundation for improving the quality standards of JHTKL and providing a reference basis for its potential expansion in clinical applications.

     

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