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Network pharmacology-based identification of key pharmacological pathways of Yin–Huang–Qing–Fei capsule acting on chronic bronchitis

机译:基于网络药理学的银黄清肺胶囊治疗慢性支气管炎关键药理途径的鉴定

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For decades in China, the Yin–Huang–Qing–Fei capsule (YHQFC) has been widely used in the treatment of chronic bronchitis, with good curative effects. Owing to the complexity of traditional Chinese herbal formulas, the pharmacological mechanism of YHQFC remains unclear. To address this problem, a network pharmacology-based strategy was proposed in this study. At first, the putative target profile of YHQFC was predicted using MedChem Studio, based on structural and functional similarities of all available YHQFC components to the known drugs obtained from the DrugBank database. Then, an interaction network was constructed using links between putative YHQFC targets and known therapeutic targets of chronic bronchitis. Following the calculation of four topological features (degree, betweenness, closeness, and coreness) of each node in the network, 475 major putative targets of YHQFC and their topological importance were identified. In addition, a pathway enrichment analysis based on the Kyoto Encyclopedia of Genes and Genomes pathway database indicated that the major putative targets of YHQFC are significantly associated with various pathways involved in anti-inflammation processes, immune responses, and pathological changes caused by asthma. More interestingly, eight major putative targets of YHQFC (interleukin [IL]-3, IL-4, IL-5, IL-10, IL-13, FCER1G, CCL11, and EPX) were demonstrated to be associated with the inflammatory process that occurs during the progression of asthma. Finally, a molecular docking simulation was performed and the results exhibited that 17 pairs of chemical components and candidate YHQFC targets involved in asthma pathway had strong binding efficiencies. In conclusion, this network pharmacology-based investigation revealed that YHQFC may attenuate the inflammatory reaction of chronic bronchitis by regulating its candidate targets, which may be implicated in the major pathological processes of the asthma pathway.
机译:在中国几十年来,银黄清肺胶囊(YHQFC)已被广泛用于治疗慢性支气管炎,具有良好的疗效。由于传统中草药配方的复杂性,YHQFC的药理机制仍不清楚。为了解决这个问题,本研究提出了一种基于网络药理学的策略。首先,根据所有可用的YHQFC组分与从DrugBank数据库获得的已知药物的结构和功能相似性,使用MedChem Studio预测YHQFC的推定目标概况。然后,使用推定的YHQFC靶标与已知的慢性支气管炎治疗靶标之间的联系构建相互作用网络。在计算了网络中每个节点的四个拓扑特征(程度,中间性,亲密性和核心性)之后,确定了475个主要的YHQFC假定目标及其拓扑重要性。此外,基于《京都议定书》的基因和基因组百科全书路径数据库进行的路径富集分析表明,YHQFC的主要推定目标与哮喘引起的抗炎过程,免疫反应和病理变化中涉及的各种路径显着相关。更有趣的是,YHQFC的八个主要推定目标(白介素[IL] -3,IL-4,IL-5,IL-10,IL-13,FCER1G,CCL11和EPX)被证明与以下炎症过程有关:发生在哮喘的发展过程中。最后,进行了分子对接模拟,结果表明参与哮喘途径的17对化学成分和候选YHQFC靶标具有很强的结合效率。总之,这项基于网络药理学的研究表明,YHQFC可能通过调节其候选靶点来减轻慢性支气管炎的炎症反应,这可能与哮喘途径的主要病理过程有关。

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