基于网络药理学与分子对接技术探讨乌梅-僵蚕治疗小儿腺样体肥大的机制  

Exploration of the Mechanism of Mume Fructus-Bombyx Batryticatus in Treating Children's Adenoid Hypertrophy Based on Network Pharmacology and Molecular Docking Technology

作　　者：刘灵娟 周泽霖 张鹏[1] 苏浩东 董秀兰[2] LIU Lingjuan;ZHOU Zelin;ZHANG Peng;SU Haodong;DONG Xiulan(Guangzhou University of Chinese Medicine,Guangzhou Guangdong 510405,China;The First Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou Guangdong 510405,China)

机构地区：[1]广州中医药大学,广东广州510405 [2]广州中医药大学第一附属医院,广东广州510405

出　　处：《新中医》2023年第17期13-20,共8页New Chinese Medicine

摘　　要：目的:运用网络药理学和分子对接技术探讨乌梅-僵蚕治疗小儿腺样体肥大(AH)的活性成分及作用机制。方法:通过中药系统药理数据库与分析平台(TCMSP)数据库和Uniprot数据库得到乌梅、僵蚕的靶点信息,利用GeneCards、OMIM数据库获取AH相关靶点,将交集靶点输入STRING数据库以获取蛋白互作(PPI),借助Cytoscape3.7.0构建PPI网络、筛选核心靶点,并利用Metascape数据库对乌梅-僵蚕治疗AH靶点进行GO功能及KEGG通路富集分析。结果:筛选得到槲皮素(Quercetin)、蜕皮素(Ecdysone)、山奈酚(Kaempferol)等为乌梅-僵蚕的主要活性成分,共有539个作用靶标,AH相关靶标165个,包括细胞肿瘤抗原p53 (TP53)、转录信号传感器和激活器3 (STAT3)等核心靶点,GO富集分析得到生物过程2 188条、分子功能3 478条,细胞组分92条,KEGG分析涉及200个信号通路,包括癌症的通路、Th17细胞分化通路、C型凝集素受体信号通路等关键信号通路。分子对接结果显示乌梅-僵蚕的3个主要活性成分与核心靶点MAPK3、STAT3、TP53、SRC具有较好亲和力,特别是槲皮素与STAT3、蜕皮素与TP53结合活性最佳。结论:乌梅-僵蚕可能通过抗炎、免疫、抗氧化、抑制血管形成和诱导细胞凋亡等途径来治疗AH。Objective:To explore the active components and mechanism of Mume Fructus-Bombyx Batryticatus in the treatment of children's adenoid hypertrophy(AH)by network pharmacology and molecular docking technology.Methods:Target information of Mume Fructus and Bombyx Batryticatus was obtained through the Traditional Chinese Medicine System Pharmacological Database and Analysis Platform(TCMSP)database and Uniprot database.AH-related targets were obtained using GeneCards and OMIM databases,and the intersecting targets were input into the STRING database to obtain protein-protein interaction(PPI).PPI network was constructed using Cytoscape 3.7.0 to screen core targets.And the Metascape database was used to conduct GO function and KEGG pathway enrichment analysis on the target of Mume Fructus-Bombyx Batryticatus for AH treatment.Results:Quercetin,ecdysone,kaempferol,etc.were screened as the main active components of Mume Fructus-Bombyx Batryticatus.There were 539 action targets,165 AH-related targets,including core targets such as cell tumor antigen p53(TP53),transcription signal sensor and activator 3(STAT3).GO enrichment analysis yielded 2188 biological processes,3478 molecular functions,and 92 cell components,KEGG analysis involves 200 signaling pathways,including cancer pathway,Th17 cell differentiation pathway,C-type lectin receptor signaling pathway and other key signaling pathways.The results of molecular docking showed that the three main active components of Mume Fructus-Bombyx Batryticatus had good affinity with the core targets MAPK3,STAT3,TP53 and SRC,especially quercetin and STAT3,ecdysone and TP53 had the best binding activity.Conclusion:Mume Fructus-Bombyx Batryticatus may treat AH through anti-inflammatory,immune,antioxidant,vascular inhibition,and induction of cell apoptosis pathways.

关 键 词：腺样体肥大 乌梅 僵蚕 分子对接 网络药理学 

分 类 号：R766[医药卫生—耳鼻咽喉科]