Gao Kai, Song Yan-Ping, Du Xia, Chen Hao, Zhao Lin-Tao
Pharmacy College, Shaanxi University of Chinese Medicine, Xianyang, Shaanxi, China.
Shaanxi Academy of Traditional Chinese Medicine, Xi'an, Shaanxi, China.
Comput Biol Chem. 2020 Oct;88:107307. doi: 10.1016/j.compbiolchem.2020.107307. Epub 2020 Jun 20.
Influenza is a type of acute disease characterized by strong contagiousness and short incubation period, which have posed a large potential threat to public health. Traditional Chinese Medicine (TCM) advocates to the aim of combating complex diseases from a holistic view, which has shown effectiveness in anti-influenza. However, the mechanism of TCM prescription remains puzzling. Here, we applied a system pharmacology approach to reveal the underlying molecular mechanisms of Qingjie Fanggan prescription (QFP) in the prevention and treatment of influenza. In this study, we identified 228 potential active compounds by means of absorption, distribution, metabolism, and excretion (ADME) evaluation system and literature research. Then, the targets of the potential active compounds were predicted by using the WES (Weighted Ensemble Similarity) method, and the influenza-related targets were obtained according to some existing gene databases. Next, an herb-component-target network was constructed to further dissect the multi-directional therapeutic approach for QFP. Meanwhile, we also performed gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) annotation analysis on 344 potential targets. Finally, a target-pathway network was constructed to further dissect the core pathways and targets in treatment of influenza for QFP. And the key components and targets were docked by AutoDock Vina to explore their binding mode. All of these demonstrated that QFP had multi-scale curative activity in regulating influenza-related biological processes, which facilitates the application of traditional medicine in modern medicine.
流感是一种急性疾病，具有传染性强、潜伏期短的特点，对公众健康构成了巨大潜在威胁。中医主张从整体观出发对抗复杂疾病，在抗流感方面已显示出有效性。然而，中药方剂的作用机制仍不清楚。在此，我们应用系统药理学方法揭示清解方甘方剂（QFP）预防和治疗流感的潜在分子机制。在本研究中，我们通过吸收、分布、代谢和排泄（ADME）评估系统及文献研究确定了228种潜在活性化合物。然后，使用加权集成相似性（WES）方法预测潜在活性化合物的靶点，并根据一些现有基因数据库获得流感相关靶点。接下来，构建草药-成分-靶点网络以进一步剖析QFP的多向治疗方法。同时，我们还对344个潜在靶点进行了基因本体（GO）富集分析和京都基因与基因组百科全书（KEGG）注释分析。最后，构建靶点-通路网络以进一步剖析QFP治疗流感的核心通路和靶点。并通过AutoDock Vina对关键成分和靶点进行对接以探索它们的结合模式。所有这些都表明QFP在调节流感相关生物学过程方面具有多尺度治疗活性，这有助于传统医学在现代医学中的应用。
