首页|基于网络药理学和分子对接探究中药复方对马蹄叶炎的作用机制

基于网络药理学和分子对接探究中药复方对马蹄叶炎的作用机制

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为了探究红花、当归、没药和黄芪组成的中药复方在马蹄叶炎中的作用机制,本研究通过中药系统药理学数据库与分析平台检索该中药复方的化学成分及马蹄叶炎的相关靶点基因,在得到该中药复方防治马蹄叶炎的交集靶点基因后,对靶点基因进行GO功能与KEGG通路富集分析,最后对药物和靶点进行蛋白分子对接,并对结果进行可视化处理.结果表明:从该中药复方中筛选的主要有效活性成分包括毛莨黄素、红花素、鞣花酸、花葵素、谷甾醇等,这些药物活性成分主要作用靶点有600个.马蹄叶炎的相关靶点基因170个,得到31个交集靶点基因.PPI网络结果表明,EGFR、TNF、ERBB2和STAT1等基因可能为药物治疗马蹄叶炎的核心靶点基因.KEGG通路富集结果表明,MAPK,PI3K-Akt和TNF等信号通路可能为该复方治疗马蹄叶炎的信号通路;GO富集结果表明,靶点主要涉及受体蛋白酪氨酸激酶信号通路、肿瘤坏死因子介导的信号通路、STAT蛋白酪氨酸磷酸化正调控等.分子对接结果显示,该中药复方中异鼠李素和异黄烷酮可与关键靶点TNF具有良好的连接活性.上述结果表明,该中药复方可对EGFR、TNF、AKT1、MAPK3、IL-2、ERBB2和STAT1的调控作用,可能通过调控MAPK、PI3K-Akt和TNF等信号通路激活,从而发挥对马蹄叶炎的治疗作用.
Exploring the Mechanism of Chinese Herbal Compound on Equine Laminitis Based on Network Pharmacology and Molecular Docking
In order to explore the action mechanism of the traditional Chinese medicine compound composed of safflower,angelica,myrrh and astragalus in equine callillitis.In this study,the chemical composition of the TCM compound and the related target genes of clubripetalitis were retrieved through the TCM systematic pharmacology database and analysis platform,and the intersec-tion target genes of the TCM compound for the prevention and treatment of clubripetalitis were obtained.The GO function and KEGG pathway enrichment analysis of the target genes were carried out,and finally the protein molecule docking of the drug and the target was conducted,and the results were visualized.The results showed that the main active ingredients screened from the TCM compound included follycin,safflowerin,ellagic acid,solanine,sitosterol,etc.,and there were 600 main targets of these ac-tive ingredients.There were 170 related target genes for callillitis,and 31 intersecting target genes were obtained.The results of PPI network suggested that EGFR,TNF,ERBB2,and STAT1 genes may be the core target genes for the treatment of clubripetali-tis.The results of KEGG pathway enrichment indicated that MAPK,PI3K-Akt and TNF signaling pathways may be the signaling pathways for the treatment of clubria in the treatment of clubriformis,and the GO enrichment results showed that the targets were mainly involved in receptor protein tyrosine kinase signaling pathway,tumor necrosis factor-mediated signaling pathway,and posi-tive regulation of STAT protein tyrosine phosphorylation.The molecular docking results demonstrated that the isorhamnetin and iso-flavanone in the TCM compound had good linking activity with the key target TNF.These results suggested that the TCM compound may played a therapeutic role in the treatment of horseshoe by regulating the activation of EGFR,TNF,AKT1,MAPK3,IL-2,ERBB2,and STAT1 on EGFR,TNF,AKT1,MAPK3,IL-2,ERBB2,and STAT1.

Network pharmacologyChinese herbal compoundEquine laminitisMolecular dockingAction mechanism

秦少杰、王超、巩志国、赵佳敏、刘鑫煜、于琢雅、白云洁、于嘉辉、王志、毛伟

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内蒙古农业大学兽医学院,呼和浩特 010011

北京农业职业学院动物科技学院,北京 102442

网络药理学 中药复方 马蹄叶炎 分子对接 作用机制

2024

内蒙古农业大学学报(自然科学版)
内蒙古农业大学

内蒙古农业大学学报(自然科学版)

北大核心
影响因子:0.384
ISSN:1009-3575
年,卷(期):2024.45(1)