| 引用本文:史亚婷，刘雁峰，奚婷，曹一鸣，王悦竹，宫玮珩.基于网络药理学和分子对接研究寿胎丸治疗复发性流产的作用机制[J].世界中医药,2021,(22):. |
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| 基于网络药理学和分子对接研究寿胎丸治疗复发性流产的作用机制 |
| Mechanism of Shoutai Pill in Treatment of Recurrent Spontaneous Abortion Based on Network Pharmacology and Molecular Docking |
| 投稿时间：2020-11-02 |
| DOI：10.3969/j.issn.1673-7202.2021.22.007 |
| 中文关键词: 寿胎丸 复发性流产 网络药理学 分子对接 靶点 蛋白质-蛋白质相互作用网络 信号通路 作用机制 |
| English Keywords:Shoutai Pill Recurrent spontaneous abortion Network pharmacology Molecular docking Protein-protein interaction network Target Signaling pathway Mechanism of action |
| 基金项目:国家自然科学基金项目（81473721）；首都卫生发展科研专项项目（首发2020-2-4194） |
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| 中文摘要: |
| 目的：基于网络药理学和分子对接方法探讨寿胎丸治疗复发性流产（RSA）的主要作用机制。方法：运用中药系统药理学数据库与分析平台（TCMSP）、BATMAN-TCM数据库检索寿胎丸所含主要的活性化学成分，并在TCMSP数据库中查询药物成分对应靶点，检索GeneGards数据库获得RSA相关靶点。运用R软件取药物与疾病靶点的交集制成韦恩图，再利用Cytoscape 3.7.2软件将药物-活性成分-靶点-疾病网络可视化，通过STRING数据库获得靶标蛋白质-蛋白质相互作用（PPI）网络。最后运用R软件对靶点基因进行基因本体（GO）富集分析和京都基因和基因组百科全书（KEGG）富集分析。结果：共得出主要活性成分21个，寿胎丸与RSA相关靶点共108个，通过GO分析得出133个功能条目，通过KEGG分析得出147条信号通路，涉及细胞因子受体结合、受体配体活动、泛素样蛋白连接酶结合等功能及AGE-RAGE信号通路、流体剪切应力和动脉粥样硬化等通路。分子对接验证显示，寿胎丸的主要活性成分与RSA核心靶点具有较强的结合活性，为二者的相互作用提供了基础。结论：该研究利用网络药理学方法初步揭示了寿胎丸通过多成分、多靶点、多通路治疗RSA的作用机制，预测了寿胎丸可能通过TGF-β、PI3K/AKT、MAPK、JAK-STAT等通路保护妊娠，为进一步临床及实验研究提供了良好的理论依据。 |
| English Summary: |
| Objective Based on network pharmacology and molecular docking method，to explore the main mechanism of Shoutai Pill in the treatment of recurrent spontaneous abortion(RSA).Methods TCMSP and BATMAN-TCM databases were used to retrieve the main active chemical constituents in the pill.Corresponding drug targets were searched in the TCMSP database，and RSA related targets were retrieved in Gene Gards database.R software was used to take the intersection of drugs and disease targets to generate the Wynn diagram，and Cytoscape3.7.2 software was used to visualize the drug-active component-target-disease network.The PPI network of target protein interaction was obtained through STRING database.Finally，the target genes were performed GO and KEGG analysis with R software.Results It was concluded that there were 21 main active ingredients a total of 108 entries associated with the RSA，133 items from GO analysis，147 signaling pathways through KEGG analysis，involving the functions of cytokine receptor binding，receptor ligand activity，ubiquitin-like protein ligase binding and signaling pathways of AGE-RAGE signaling pathways in diabetic complications，fluid shear stress and atherosclerosis.The molecular docking verification showed that the main active components of Shoutai Pill had strong binding activity with RSA core targets，which provided a foundation for the interaction between the two.Conclusion In this study，network pharmacology was used to reveal the mechanism of Shoutai Pill in the treatment of RSA through multiple components，targets and pathways，and it was predicted that Shoutai Pill might protect pregnancy through TGF-β,PI3K/AKT,MAPK,JAK-STAT and other pathways，which provided a good theoretical basis for further clinical and experimental studies. |
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