[关键词]
[摘要]
目的 探索疏风解毒胶囊抗炎和免疫调节的网络调控机制。方法 选取疏风解毒胶囊中的28个化合物为研究对象,依据反向药效团匹配方法预测化合物的作用靶点,借助MAS 3.0生物分子功能软件及京都基因与基因组百科全书(KEGG)数据库对获得靶点进行基因本体(gene ontology,GO)功能富集分析、信号通路分析,利用Cytoscape软件构建网络药理图。结果 28个化合物可通过127个靶点作用于112条通路,其中41个蛋白靶点和22条通路与抗炎和免疫调节相关,得到疏风解毒胶囊化合物-靶点-通路-病理过程网络图。结论 疏风解毒胶囊通过作用于HRAS、MAP2K1、AKT1、MME和PTPN1等关键蛋白,干预了多个与抗炎和免疫调节相关的生物过程,初步揭示了其作用机制。
[Key word]
[Abstract]
Objective To explore the network regulation mechanism of anti-inflammation and immunoregulation of Shufeng Jiedu Capsule (SJC). Methods Targets of the 28 compounds in SJC were predicted according to the reverse pharmacophore method. Gene ontology (GO) function enrichment and pathway analysis of the targets were analyzed by MAS 3.0 software and Kyoto Gene and Genome Encyclopedia (KEGG) database. Finally, Cytoscape software was used to construct the network pharmacology map. Results A total of 28 compounds affected 112 pathways through 127 targets, of which 41 targets and 22 pathways were associated with anti-inflammation and immunoregulation. The network of compound-target-pathway-pathology process was also constructed. Conclusion SJC interferes with multiple biological processes related to anti-inflammation and immunoregulation by acting on several key proteins such as HRAS, MAP2K1, AKT1, MME, and PTPN1. The mechanism of SJC was preliminarily revealed.
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[基金项目]
国家中药标准化专项资助(ZYBZH-C-AH-02);国家自然科学基金资助项目(81430096);国家自然科学基金资助项目(81703802)