基于网络药理学和分子对接探讨当归建中汤治疗痛经的作用机制  

The mechanism of Danggui Jianzhong Decoction in treating dysmenorrhea based on network pharmacology and molecular docking

作　　者：段玺 王珂 苏肖 刘凯乐 刘佳欢 王娟 韩立柱 汪芸兰 宋逍[2] DUAN Xi;WANG Ke;SU Xiao;LIU Kaile;LIU Jiahuan;WANG Juan;HAN Lizhu;WANG Yunlan;SONG Xiao(Department of Clinical Laboratory,the Affiliated Hospital of Shaanxi University of Traditional Chinese Medicine,Xianyang Shaanxi 712000;College of Pharmacy,Shaanxi University of Chinese Medicine,Xianyang Shaanxi 712046,China)

机构地区：[1]陕西中医药大学附属医院检验科,陕西咸阳712000 [2]陕西中医药大学药学院,陕西咸阳712046

出　　处：《江苏大学学报（医学版）》2021年第2期166-172,177,共8页Journal of Jiangsu University：Medicine Edition

基　　金：国家中医药管理局中药制剂三级实验室项目(1008);陕西中医药大学大学生创新创业项目(S201910716064)。

摘　　要：目的:基于网络药理学和分子对接技术探讨当归建中汤治疗痛经的有效成分、潜在靶点及作用通路,阐述其作用机制。方法:通过TCMSP网站建立当归建中汤有效成分与靶点数据库,利用CTD、DisGeNET、Drugbank数据库筛选痛经相关的靶点,对药物靶点与疾病靶点取其交集,利用STRING数据库构建PPI蛋白作用关系,clusterProfiler程序包进行GO功能富集分析和KEGG信号通路分析,采用Cytoscape 3.7.0软件构建药材化学成分靶点疾病网络。结果:筛选出痛经靶点300个,药材靶点184个,发现当归建中汤治疗痛经有24个重要靶点,参与的信号通路有F2信号通路、TNF信号通路和雌激素信号通路等。结论:当归建中汤治疗痛经的作用机制可能与激素调节、炎症反应等有关,影响与痛经相关的流体剪切应力与动脉粥样硬化及激素信号通路。Objective:Based on network pharmacology and molecular docking technology,to explore the effective components,potential targets and action pathways of Danggui Jianzhong Decoction in treating dysmenorrhea,and to investigate their mechanism of action.Methods:By establishing a database of active ingredients and targets of Danggui Jianzhong Decoction through the TCMSP website,and CTD,DisGeNET,and Drugbank databases were used to screen for dysmenorrhea-related targets,then take the intersection of drug targets and disease targets,and the STRING database was used to construct the PPI protein relationship.Finally,the cluster Profiler package was used to perform GO function enrichment analysis and KEGG signal pathway analysis,and Cytoscape 3.7.0 software was applied to build a medicinal material chemical composition-target-disease network.Results:Based on screened 300 dysmenorrhea targets and 184 medicinal materials targets,it was found that Danggui Jianzhong Decoction has 24 important targets for dysmenorrhea,including F2 signal pathway,TNF signal pathway and Estrogen signaling pathway.Conclusion:The mechanisms of Danggui Jianzhong Decoction in treating dysmenorrhea may be related to hormonal regulation and inflammatory response,affecting the fluid shear stress and atherosclerosis and hormone signaling pathways related to dysmenorrhea.

关 键 词：当归建中汤 痛经 网络药理学 分子对接 作用机制 

分 类 号：R285[医药卫生—中药学]