草苁蓉抗衰老作用的网络药理学研究  

Network pharmacological study on anti-aging effect of Boschniakia rossica

作　　者：杨雪晶[1] 杨辉萍 张天雷 YANG Xuejing;YANG Huiping;ZHANG Tianlei(College of Pharmacy,Harbin University of Commerce,Harbin 150076,China)

机构地区：[1]哈尔滨商业大学药学院,哈尔滨150076

出　　处：《哈尔滨商业大学学报（自然科学版）》2024年第2期131-138,共8页Journal of Harbin University of Commerce：Natural Sciences Edition

基　　金：黑龙江省中医药管理局中医药科研课题项目(ZHY2022-045);黑龙江省中医药经典普及化专项课题项目(ZYW2022-064)。

摘　　要：通过网络药理学和分子对接探讨草苁蓉抗衰老的活性成分、关键靶点及潜在分子机制,为草苁蓉抗衰老的开发提供依据.使用TCMSP和HERB数据库获得草苁蓉的活性成分和靶点;通过OMIM、GeneCards、DisGeNET数据库获取与衰老相关靶点;运用Venny 2.1.0平台获得交集靶点;采用STRING平台和Cytoscape 3.9.1软件制作PPI网络;运用DAVID数据库和微生信在线平台对交集靶点进行GO和KEGG分析;运用Openbabel、Autodock、PyMOL等软件,PLIP等平台进行分子对接验证和可视化处理.从草苁蓉中筛选得到活性成分30个,成分靶点436个,与衰老相关靶点1814个;成分-疾病交集靶点共215个.GO和KEGG分析发现,草苁蓉的抗衰老作用涉及了对细胞凋亡的负反馈、对药物的反应等多个生物学过程,交集靶点主要富集在癌症、PI3K-AKT信号传导、MAPK信号传导等20条核心通路上;分子对接结果表明,草苁蓉中的齐墩果酸、3-表齐墩果酸和草苁蓉纳拉苷与关键靶点GAPDH、AKT1、IL6具有良好的结合潜能.草苁蓉通过齐墩果酸、3-表齐墩果酸和草苁蓉纳拉苷等成分,作用于GAPDH、AKT1、IL6等关键靶点,参与PI3K-Akt信号通路、MAPK信号通路、HIF-1信号通路等多种途径,发挥RNA聚合酶Ⅱ转录因子活性,细胞凋亡的负反馈,对药物的反应等作用,从而发挥抗衰老的作用.Through network pharmacology and molecular docking to explore the active ingredients,key targets,and potential molecular mechanisms of Boschniakia rossica in anti-aging,and to provide a basis for the development of Boschniakia rossica in anti-aging.Using TCMSP and HERB databases to obtain the active ingredients and targets of Boschniakia rossica;using OMIM,GeneCards,and DisGeNET databases to obtain aging related targets;using the Venny 2.1.0 platform to obtain intersection targets;using STRING platform and Cytoscape 3.9.1 software to create PPI network;using DAVID database and bioinformatics online platform to conduct GO and KEGG analysis on intersecting targets;software such as Openbabel,Autodock,PyMOL,and platforms such as PLIP for was used for molecular docking verification and visualization processing.Thirty active ingredients from Boschniakia rossica,436 component targets,1814 age-relate targets,and 215 intersection targets from component and disease were selected.GO and KEGG analyses found that the anti-aging effect of Boschniakia rossica involved multiple biological processes such as negative feedback on cell apoptosis and response to drugs.The intersection targets were mainly concentrated in 20 core pathways such as cancer,PI3K-AKT signaling and MAPK signaling.Molecular docking results showed that oleanolic acid,3-epioleanolic acid and boschnaloside from Boschniakia rossica exhibited good binding potential with key targets of GAPDH,AKT1 and IL6.Boschniakia rossica acts on the key targets of GAPDH,AKT1 and IL6 through oleanolic acid,3-epioleanolic acid and boschnaloside.They participated in PI3K-Akt signaling pathway,MAPK signaling pathway,HIF-1 signaling pathway and other pathways.To exert RNA polymerase II transcription factor activity,apoptosis negative feedback and drug reaction to plays the role of anti-aging.

关 键 词：草苁蓉 抗衰老 网络药理学 分子对接 作用机制 

分 类 号：R285[医药卫生—中药学]