基于网络药理学的复方当归注射液作用机制研究  

Study on Action Mechanism of Compound Angelica Injection Based on Network Pharmacology

作　　者：刘涛[1] 赵灵丽 钟林江 戴静 曾钦 何勇志 LIU Tao;ZHAO Lingli;ZHONG Linjiang;DAI Jing;ZENG Qin;HE Yongzhi(School of Food and Biological Engineering,Chengdu University,Chengdu 610106,China)

机构地区：[1]成都大学食品与生物工程学院,四川成都610106

出　　处：《成都大学学报（自然科学版）》2020年第3期225-229,共5页Journal of Chengdu University（Natural Science Edition）

基　　金：四川省科技厅2018年科技项目(2018ZR0107、2018TJPT0049)。

摘　　要：通过网络药理学和分子对接来探讨复方当归注射液治疗疾病的分子机制.通过TCMSP数据库获取复方当归注射液的主要成分和靶标;通过UniProt数据库查询基因名,通过GeneCards获得疾病基因,取成分基因与疾病基因的交集,进行GO分析和KEGG分析;借助Cytoscape软件构建成分-靶点-通路网络,并进行拓扑参数分析;将成分-靶点-通路网络中筛选得到的关键化合物与关键靶点进行分子对接.通过网络药理学和分子对接得到的关键化合物有槲皮素和山奈酚,将关键靶点与化合物进行分子对接,其中AKT1、MAPK8、MAPK14、NFKBIA的结合能较小,活性较强。研究为进一步阐明复方当归注射液治疗疾病的作用机制提供一定的理论依据.Network pharmacology and molecular docking were used to explore the molecular mechanism of compound injection of angelica in treating diseases.The researchers obtain the main components and targets of compound injection of angelica through TCMSP database.They also obtain the gene names through UniProt database,and obtain the disease genes through GeneC ards.Then they take the intersection of component genes and disease genes,and perform GO analysis and KEGG analysis.After that,they use Cytoscape software to construct component-targets point-pathway network,and perform topological parameter analysis.Molecular docking of key compounds screened in the component-targetpathway network with key targets is conducted.Through network pharmacology and molecular docking,the key compounds obtained are quercetin and kaempferol,and the key targets are molecularly docked with the compounds.Among them,AKT1,MAPK8,MAPK14,NFKBIA have low binding energy and strong activity.The research provides a certain theoretical basis for further elaborafion on the mechanism of action of compound injection of angelica in treating diseases.

关 键 词：网络药理学 分子对接 复方当归注射液 头痛 原发性痛经 类风湿性关节炎 

分 类 号：R286[医药卫生—中药学] R285[医药卫生—中医学]