基于网络药理学的二妙丸对特应性皮炎的分子机制研究

Utilizing network pharmacology to explore the underlying mechanism of Ermiaowan in atopic dermatitis

目的以网络药理学为基础,阐明二妙丸治疗特应性皮炎的多组分、多靶点、多途径作用机制。方法二妙丸的主要化学成分和靶标来源于TCMSP数据库。选择二妙丸靶点与多个数据库中特应性皮炎相关靶点的重叠靶点作为潜在的治疗靶点,构建PPI网络,阐明和分析蛋白-蛋白相互作用。将主要药物作用靶点导入Metasscape平台,进行生物学功能及通路富集分析。CytoScape3.8.0构建并分析成分-靶点-通路网络。结果确定了29个具有治疗特应性皮炎作用的活性化合物。其中,关键化合物为β-胡萝卜苷、β-谷甾醇、异延胡索单酚碱、氢化小檗碱和原阿片碱等,PTGS2、PTGS1、SCN5A、RXRA、PRKACA、HSP90AA1、ADRB2、KCNH2及CHRM1被确定为二妙丸治疗特应性皮炎的关键靶点。通过GO和KEGG分析,发现二妙丸治疗特应性皮炎的潜在机制涉及多个生物学过程和通路。结论二妙丸可通过多途径、多靶点减轻特应性皮炎症状体征。本研究表明,网络药理学方法可以从整体角度揭示中医中药的作用机制。该发现为二妙丸治疗特应性皮炎的临床应用提供了科学依据,也为探索二妙丸的潜在作用机制提供了新的方向。

Objection Based on network pharmacology,the multi-component,multi-target and multi-channel mechanism of Ermiaowan in the treatment of atopic dermatitis was clarified.Methods The main chemical components and targets of Ermiaowan were obtained from TCMSP database.Choose the overlapping targets between the Ermiaowan targets and the atopic dermatitis-related targets collected from multiple databases as potential therapeutic targets and construct PPI network to clarify and analyze the protein-protein interactions.The major hubs were imported to Metascape platform for biological function and pathway enrichment analysis.The component-target-pathway network was constructed and analyzed using CytoScape3.8.0.Results Total 29 active compounds were identified for the treatment of atopic dermatitis.Among them,the key compounds wereβ-carotenoside,β-sitosterol,isocorydalis monophenolic base,hydrogenated berberine and proopioid.PTGS2,PTGS1,SCN5A,RXRA,PRKACA,HSP90AA1,ADRB2,KCNH2 and CHRM1 were established as the key therapeutic targets of Ermiaowan in treating atopic dermatitis.According to GO and KEGG analysis,the potential mechanism of Ermiaowan in treating atopic dermatitis involved several biological processes and pathways.Conclusion Ermiaowan could alleviate atopic dermatitis through multi-pathway and multi-target.This research demonstrates that the network pharmacology approach can reveal the mechanisms of traditional Chinese medicine from a holistic perspective.Thefindings provide a scientific basis for the clinical application of Ermiaowan in the treatment of atopic dermatitis as well as a new direction for exploring the potential mechanism of action of Ermiaowan.