白鲜皮“异病同治”皮炎、湿疹和银屑病的作用机制预测

Prediction of the mechanism of Dictamni Cortex in treating dermatitis, eczema and psoriasis based on "the same treatment for different diseases"

  • 摘要:
    目的 通过网络药理学和分子对接技术分析白鲜皮“异病同治”皮炎、湿疹、银屑病的分子靶点及其相关作用机理。
    方法 运用中药系统药理学数据库与分析平台(TCMSP)检索并筛选白鲜皮的主要活性成分, 并运用STP数据库预测有效成分的作用靶点。借助TTD、OMIM、DrugBank、GeneCards、DisGeNET数据库获取治疗皮炎、湿疹、银屑病的有关靶点,借助Venny软件获取皮炎、湿疹、银屑病的相同靶点以及与白鲜皮有效成分作用靶点的交集靶点。利用Cytoscape绘制网络图, STRING数据库构建白鲜皮治疗皮炎、湿疹、银屑病的相同靶基因的蛋白互作网络图。运用Metascape数据库进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,并运用R语言进行可视化处理。通过Discovery Studio 2019 Client、AutoDock Tools、PyMOL进行分子对接和可视化。
    结果 经筛选白鲜皮有效成分15个,与皮炎、湿疹、银屑病相同靶点的交集靶点共64个。白鲜皮活性成分治疗皮炎、湿疹、银屑病的核心靶点依次为肿瘤坏死因子(TNF)、Toll样受体4(TLR4)、血管内皮生长因子A (VEGFA)、信号转导和转录激活因子3(STAT3)、信号转导和转录激活因子1(STAT1)等。核心通路为高级糖基化终末产物-受体(AGE-RAGE)、白细胞介素17(IL-17)、酪氨酸激酶-信号传导及转录活化因子(JAK-STAT)信号通路等。
    结论 白鲜皮可能通过IL-17、JAK-STAT、AGE-RAGE等多个通路作用于TNF、TLR4、VEGFA等多个靶点,从而在皮炎、湿疹、银屑病中起到抗炎止痒的作用。

     

    Abstract:
    Objective To analyze the molecular targets and related mechanisms of dermatitis, eczema, and psoriasis by Dictamni Cortex through network pharmacology and molecular docking based on "the same treatment for different diseases".
    Methods The main active ingredients of Dictamni Cortex were searched and screened by using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) database, and the targets of active ingredients were predicted by the Swiss Target Prediction(STP) database. The relevant targets for the treatment of dermatitis, eczema, and psoriasis were obtained by TTD, OMIM, DrugBank, GeneCards, and DisGeNET database, and Venny software was used to obtain the same targets for dermatitis, eczema, and psoriasis, as well as targets that interacted with the active ingredients of Dictamni Cortex. Cytoscape was used to draw the network map, and the STRING database was used to construct the protein interaction network map of the same target genes of Dictamni Cortex in the treatment of dermatitis, eczema, and psoriasis. Metascape database was used for Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, and R language was used for visualization. Molecular docking and visualization were performed through Discovery Studio 2019 Client, AutoDock Tools, and PyMOL.
    Results A total of 15 active ingredients from Dictamni Cortex were obtained, and there were 64 intersection targets for the same targets of Dictamni Cortex and dermatitis, eczema, and psoriasis. The core targets of the active ingredients of Dictamni Cortex in the treatment of dermatitis, eczema, and psoriasis were tumor necrosis factor (TNF), toll-like receptor 4(TLR4), vascular endothelial growth factor A(VEGFA), signal transduction and transcription activator 3(STAT3), signal transduction and transcription activator 1(STAT1), etc. The core pathways included advanced glycosylation end-product-receptor (AGE-RAGE), interleukin-17 (IL-17), Janus kinase-signal transducer and activator of transcription (JAK-STAT) pathway, etc.
    Conclusion Dictamni Cortex may act on multiple targets such as TNF, TLR4 and VEGFA through multiple pathways including IL-17, JAK-STAT and AGE-RAGE to exert anti-inflammatory and anti-itch effects in dermatitis, eczema and psoriasis.

     

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