| 摘要: |
| 目的:揭示小儿清解防感颗粒防治甲型流感(甲流)的活性成分、靶点信息及作用机制。方法:通过中药系统药理学数据
库与分析平台(TCMSP)等数据库筛选小儿清解防感颗粒的潜在活性成分,利用PubChem 和Swiss Target Prediction 预测潜在靶
点,并与GeneCards 等数据库收集的甲流基因映射;String 数据库构建蛋白互作网络,Cytoscape 3. 7. 2 软件构建药物-活性成分-
核心靶点-疾病网络,Metascape 进行KEGG 通路富集分析;Autodock Vina 和Pymol 软件进行分子对接及可视化。结果:木犀草
素等158 种活性成分作用于AKT1 等321 个靶点,进而调控甲流202 条信号通路。与奥司他韦相比,木犀草素等与NS1 蛋白有
更强的结合力。结论:小儿清解防感颗粒可能是通过参与直接抗甲流病毒、调节免疫和抑制炎症反应等生物过程对甲流发挥防
治作用的。 |
| 关键词: 小儿清解防感颗粒 甲型流感 网络药理学 分子对接 作用机制 |
| DOI：doi:10.13407/j.cnki.jpp.1672-108X.2023.04.001 |
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| 基金项目: |
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| Exploring the Active Components and Mechanism of Xiao’er Qingjie Fanggan Granule in the Preventionand Treatment of Influenza A |
| Ma Li1, Song Yanping2, Zhao Lintao2, Zeng Ju2, Guo Qian1, Qiao Yuan2 |
| ((1. Shaanxi University of Chinese Medicine,
Shaanxi Xianyang 712046, China; 2. Shaanxi Academy of Traditional Chinese Medicine, Xi’an 710003, China)) |
| Abstract: |
| Objective: To reveal the active ingredients, targets, and mechanism of Xiao’er Qingjie Fanggan granule in the prevention and
treatment of influenza A. Methods: The potential active ingredients of Xiao’er Qingjie Fanggan granule were screened by Traditional
Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and the Encyclopedia of Traditional Chinese Medicine
(ETCM) database. The targets were obtained by PubChem and Swiss Target Prediction, which mapped to the influenza A related targets.
The protein-protein interaction (PPI) network was constructed by String database, and the herb-component-target-pathway network was
constructed by Cytoscape 3. 7. 2, then the enrichment of KEGG pathway was analyzed by Metascape. Finally, the binding activity of the key
components to the core targets were verified by molecular docking and visualization through Autodock Vina and Pymol. Results: Luteolin
and other 158 active ingredients acted on 321 targets such as AKT1, and then regulated 202 signaling pathways. Compared with
oseltamivir, luteolin and other active ingredients had stronger binding force on NS1, which was the binding protein of influenza A.
Conclusion: Xiao’er Qingjie Fanggan granule may play a role in protection against influenza A by participating in biological processes such
as direct protection against influenza A viruses, modulation of immunity and suppression of inflammatory responses. |
| Key words: Xiao’er Qingjie Fanggan granule influenza A network pharmacology molecular docking mechanism |
