基于网络药理学和分子对接研究黄连解毒汤治疗寻常型天疱疮的作用机制

Study on the Mechanism of Huanglian Jiedu Decoction in Treating Pemphigus Vulgaris Based on Network Pharmacology and Molecular Docking

目的:基于网络药理学、分子对接技术探讨黄连解毒汤治疗寻常型天疱疮的潜在分子机制。方法:通过TCMSP、TTD、Genecards数据库检索并筛选得到寻常型天疱疮的活性成分靶点和疾病靶点,交集后构建PPI网络;对共同靶点进行基因本体论(GO)和京都基因与基因组百科全书(KEEG)分析;将黄连解毒汤里面的活性成分与寻常型天疱疮疾病的部分靶点通过Autodock进行分析对接验证。结果:数据库搜集到78个活性成分,825个作用靶点,KEGG分析得到105条通路,分子对接结果显示,黄连解毒汤活性成分和对接的核心靶点均具有较高的亲和力。结论:黄连解毒汤可通过多种通路发挥抗炎作用,为推进研究提供相关理论依据。

Objective: To explore the potential molecular mechanism of Huanglian Jiedu Decoction in the treatment of pemphigus vulgaris based on network pharmacology and molecular docking technol-ogy. Methods: The active ingredient targets and disease targets of pemphigus vulgaris were re-trieved and screened from TCMSP, TTD and Genecards databases, and the PPI network was con-structed after the intersection;conduct gene ontology (GO) and Kyoto Encyclopedia of Genes and Genome (KEEG) analysis on common targets;the active ingredients in Huanglian Jiedu Decoction and some targets of pemphigus vulgaris disease were analyzed and verified by Autodock. Results: 78 active ingredients and 825 action targets were collected from the database, and 105 pathways were obtained by KEGG analysis. Molecular docking results showed that the active ingredients of Huanglian Jiedu Decoction and the core target of docking had high affinity. Conclusion: Huanglian Jiedu Decoction can play an anti-inflammatory role through a variety of pathways, providing rele-vant theoretical basis for promoting research.