| 王相安.基于网络药理学和分子对接探讨裘氏二藤汤治疗慢性盆腔炎的机制[J].浙江中西医结合杂志,2022,32(10): |
| 基于网络药理学和分子对接探讨裘氏二藤汤治疗慢性盆腔炎的机制 |
| The Mechanism of Erteng Decoction in Treating Chronic Pelvic Inflammatory Disease Based on Network Pharmacology and Molecular Docking Method |
| 投稿时间：2022-03-04 修订日期：2022-04-08 |
| DOI： |
| 中文关键词: 二藤汤 慢性盆腔炎 网络药理学 分子对接 |
| 英文关键词:Erteng Decoction Chronic Pelvic Inflammatory Disease Network Pharmacology Molecular Docking |
| 基金项目: |
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| 中文摘要: |
| [目的] 基于网络药理学和分子对接方法，探讨二藤汤的有效成分治疗慢性盆腔炎的机制。[方法] 利用TCMSP和TCMID数据库筛选出二藤汤有效成分及其靶点，运用Uniprot数据库获取标准化的靶点名称，同时，利用Cytoscape3.7.2软件构建“药物-活性成分-靶点”网络。通过GeneCards、OMIM数据库收集慢性盆腔炎靶点，同时，利用Venny 2.1.0获取“药物-疾病”的交集靶点并绘制韦恩图，通过STRING平台构建PPI网络图，并运用Cytoscape 3.7.2软件中CytoNCA插件筛选关键靶点。利用Metascape数据库进行GO功能和KEGG通路的富集分析。最后，利用AutoDock Vina 1.1.2对关键靶点和活性成分进行分子对接。[结果] 通过筛选共获得231个活性成分，211个“药物-疾病”交集靶点；GO分析获得2538个条目，分别为2174个BP，233个MF及131个CC条目。KEGG分析得到209条信号通路；分子对接结果显示关键靶点与核心活性成分具有较好的结合活性。[结论]二藤汤通过多成分、多靶点、多通路治疗慢性盆腔炎。 |
| 英文摘要: |
| [Objective] Network pharmacology and molecular docking methods were used to explore the mechanism of action of Erteng Decoction in the treatment of chronic pelvic inflammatory disease. [Methods] The active components and targets of Erteng Decoction were selected from TCMSP and TCMID database. The Uniprot database was applied to acquire standardized target names, meanwhile the drug-active component-target interaction network was constructed by the Cytoscape3.7.2 software. The targets related to chronic pelvic inflammatory disease were obtained from the GeneCards and OMIM databases, and the Wayne map of “Drug-Disease” was built by Venny 2.1.0. The STRING platform was applied to analyze the PPI network, while the key targets were filtrated by CytoNCA. The GO bioprocess analysis and KEGG pathway enrichment analysis were performed using Metascape database. Finally, the AutoDock Vina 1.1.2 software was applied for molecular docking of key targets and components. [Results] 231 kinds of active components and 211 “Drug-Disease” targets were obtained by screening. GO analysis acquired 2538 items, 2174 BP, 233 MF and 131 CC, respectively. KEGG analysis acquired 209 signaling pathways. The molecular docking results showed that the key target had great binding activity with the core active ingredient. [Conclusion] Erteng Decoction have demonstrated the characteristics of multi-component, multi-target, and multi-channel in treating chronic pelvic inflammatory disease. |
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