2024 年第 3 期 第 19 卷

基于网络药理学对牛蒡子治疗习惯性便秘的分子机制分析

Network pharmacological analysis of the molecular mechanism of burdock seed in treating habitual constipation

作者：黄树航秦丽娜李晓慧冯荣荣吕桃桃刘永阔

英文作者：Huang Shuhang Qin Lina Li Xiaohui Feng Rongrong Lyu Taotao Liu Yongkuo

单位：北京中医药大学第三附属医院康复科，北京100029

英文单位：Department of Rehabilitation Beijing University of Chinese Medicine Third Affiliated Hospital Beijing 100029 China

关键词：习惯性便秘；牛蒡子；分子机制；网络药理学

英文关键词：Habitualconstipation;Burdockseed;Molecularmechanism;Networkpharmacology

• 摘要：

• 目的 通过网络药理学手段探查牛蒡子的活性化合物，并预测其防治习惯性便秘的潜在靶点和信号通路及相关分子机制，为后续研究打下基础。方法 牛蒡子的所有成分均从中药系统药理学数据库与分析平台数据库中检索，利用UniProt数据库筛选牛蒡子靶点基因。利用GeneCards数据库筛选疾病靶点基因，利用Cytoscape构建药物成分-靶点网络。利用STRING数据库构建蛋白质相互作用网络，利用Hiplot对潜在靶点进行基因本体论分析与可视化。利用Cytoscape软件创建成分-靶点-通路网络。结果 组建的成分-靶点网络包含牛蒡子的3种活性成分（牛蒡子苷、β-谷甾醇和山柰酚）与149个靶点基因，其中包含蛋白质相互作用网络筛选出蛋白激酶B、肿瘤坏死因子、前列腺素合成酶2、雌激素受体1、半胱氨酸天冬氨酸蛋白酶3、血管内皮生长因子A、成熟脂肪细胞核转录因子、细胞间黏附分子β1、麦克基因和基质金属蛋白酶2共10个核心靶点基因。基因组百科全书通路富集分析结果表明牛蒡子主要化合物的靶点在多种神经退行性变疾病的发病途径、多种动脉粥样硬化相关途径、多种病毒感染和细菌感染相关途径、多种肿瘤相关通路、内分泌抵抗与炎症信号通路等进行富集。利用成分-靶点-通路网络显示牛蒡子活性成分调控影响相关通路的靶点基因。结论 本研究揭示了牛蒡子的活性成分治疗习惯性便秘的潜在靶点及关键生物学通路，从而为研究牛蒡子治疗习惯性便秘的方向提供了科学基础，并为后续药物研发及临床研究提供了理论支持。

• Objective To discover the active compounds of burdock seed, predict the therapeutic targets and signaling pathways of burdock seed in preventing habitual constipation based on network pharmacology, and lay the foundation for subsequent experiments and drug research. Methods All components of burdock seed were extracted from Traditional Chinese Medicine Systems Search in the Pharmacology database and the UniProt database was used to screen target genes of burdock seed. GeneCards database was used to screen disease target genes, and Cytoscape was used to construct a drug component target network. A protein protein interactions (PPI) network was built using the STRING database, and gene ontology (GO) analysis and visualization with potential targets was performed using Hiplot. Cytoscape software was used to create a component target pathway network. Results The constructed component target network included three active ingredients (arctiin, β-sitosterol, kaempferol) of burdock seed and 149 target genes, including 10 core target genes screened by PPI network, such as protein kinase B, tumor necrosis factor, prostaglandin-endoperoxide synthase 2, estrogen receptor 1, caspase-3, vascular endothelial growth factor A, mature adipocyte nuclear transcription factor, intercellular adhesion molecule β1, MYC gene and matrix metalloproteinase 2. The Kyoto Encyclopedia of Genes and Genomes enrichment analysis results showed that the main compounds of burdock seed were enriched in the pathogenesis of various neurodegenerative diseases, multiple atherosclerotic related pathways, multiple viral and bacterial infection related pathways, multiple tumor related pathways, endocrine resistance, and inflammatory signaling pathways. Using a component target pathway network to display the target genes involved in the regulation and influence of active ingredients in burdock seed on related pathways. Conclusion This study reveals the potential targets and key biological pathways of the active ingredients of burdock seed in the treatment of habitual constipation, thereby providing a scientific basis for the study of burdock seed in the treatment of habitual constipation, and providing theoretical support for subsequent drug development and clinical research.