基于网络药理学和分子对接探讨复方黄精大蜜丸对抗衰老的机制  

Anti-aging Mechanism of Compound Huangjing Big Honeyed Pills Based on Network Pharmacology and Molecular Docking

作　　者：陈高策 吴鑫雨 陈永 宋子乐 吴超 梁泽华[1] CHEN Gaoce;WU Xinyu;CHEN Yong;SONG Zile;WU Chao;LIANG Zehua(Zhejiang Chinese Medicine University,Hangzhou 311499;Zhejiang Mingtai Pharmaceutical Co.,Ltd,Hangzhou 311200)

机构地区：[1]浙江中医药大学药学院,杭州311499 [2]浙江民泰医药有限公司,杭州311200

出　　处：《食品工业》2023年第2期135-140,共6页The Food Industry

摘　　要：运用网络药理学和分子对接技术探讨复方黄精大蜜丸的抗衰老机制。使用TCMSP数据库获得复方黄精大蜜丸各成分的活性成分及对应靶点,从Gene Cards数据库中筛选获得衰老的相关靶点。使用String平台及Cytoscape3.9.1软件制作PPI网络;使用David平台对交集靶点进行GO与KEGG富集分析。使用AutoDock Vina 1.1.2对复方黄精大蜜丸的核心成分与核心靶点分子对接验证。结果表明,复方黄精大蜜丸通过槲皮素、山奈酚、异鼠李素核心成分作用于AKT1、TNF、IL6等核心靶点,参与PI3K-Akt信号通路、MAPK信号通路等通路。分子对接结果表明,大蜜丸中关键成分与核心靶点均有良好的结合活性。复方黄精大蜜丸可能通过发挥RNA聚合酶II启动子转录的正调控、基因表达的正向调控等作用从而达到抗衰老的目的。Using network pharmacology and molecular docking technology,explore the anti-aging mechanism of Compound Huangjing Big Honeyed Pills.The active ingredients and corresponding targets of each component of Compound Huangjing Big Honeyed Pills were obtained using the TCMSP database,and the aging-related targets were screened from the Gene Cards database.The PPI network was constructed using the String platform and Cytoscape 3.9.1 software;GO and KEGG enrichment analysis was performed on the intersection targets using the David platform.Used AutoDock Vina 1.1.2 to verify the core components and core targets of Compound Huangjing Big Honeyed Pills by molecular docking,the results showed that Compound Huangjing Big Honeyed Pills acted on core targets such as AKT1,TNF,IL6 through the core components of quercetin,kaempferol and isorhamnetin,and participated in PI3K-Akt signaling pathway,MAPK signaling pathway and other pathways.Molecular docking results showed that the key components in Big Honeyed Pills had good binding activity to the core target.Compound Huangjing Big Honeyed Pills may achieve anti-aging effect by exerting the positive regulation of RNA polymerase Ⅱ promoter transcription and gene expression.

关 键 词：复方黄精大蜜丸 抗衰老 网络药理学 KEGG分析 GO分析 分子对接 

分 类 号：R285[医药卫生—中药学]