中国医药科学2023，Vol.13Issue(23)：35-39,5.DOI:10.20116/j.issn2095-0616.2023.23.08
基于网络药理学及分子对接研究桂芍葛芎汤治疗偏头痛的作用机制
Exploration of the mechanism of Guishao Gexiong Decoction in treating migraine based on network pharmacology and molecular docking
摘要
Abstract
Objective To explore the mechanism of Guishao Gexiong Decoction in treating migraines using network pharmacology and molecular docking methods.Methods The relevant active ingredients of Guishao Gexiong Decoction were retrieved from the TCMSP database,the disease target genes of migraine were obtained through the GeneCards database,and the Guishao Gexiong decoction-migraine-potential target network diagram was constructed using Cytoscape.The biological processes and signaling pathways related to Guishao Gexiong Decoction and migraine were investigated through interactive target gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)enrichment analysis.The molecular docking verification on the key active ingredients and core targets of Guishao Gexiong Decoction was performed.Results A total of 958 drug targets were screened,involving a total of 104 active ingredients.There were 3736 migraine targets,and there are 416 potential effect targets for Guishao Gexiong Decoction in the treatment of migraine.The core target genes of Guishao Gexiong Decoction in treating migraine were albumin(ALB),tumor necrosis factor(TNF),interleukin-6(IL-6),threonine-3-protein kinase(AKT1),and glyceraldehyde phosphate dehydrogenase(GAPDH).Neuroactive ligand-receptor interactions,serotonin synapses,calcium signaling pathways,cyclic adenpsine monophosphate(cAMP)signaling pathways,and cancer pathways may be closely related to the prevention and treatment of migraine with Guishao Gexiong Decoction.Molecular docking verification indicated that some active ingredients have good docking activity with core targets.Conclusion As the main active ingredients of Guishao Gexiong Decoction in the treatment of migraine,taxifolin,β-sitosterol,sitosterol,catechol,peroxy ergosterol,etc.,act on key targets such as ALB,TNF,IL6,AKT1,GAPDH,and regulate neuroactive ligand-receptor interactions,serotonin synapses,calcium signaling pathways,cAMP signaling pathways,and cancer pathways.This study reflects the characteristics of Chinese herbal compound recipes with multiple components,pathways,and targets,providing a scientific basis for further clinical research.关键词
网络药理学/分子对接/桂芍葛芎汤/偏头痛Key words
Network pharmacology/Molecular docking/Guishao Gexiong Decoction/Migraine分类
医药卫生引用本文复制引用
徐利飞,陆素琴,李慧,董秋平..基于网络药理学及分子对接研究桂芍葛芎汤治疗偏头痛的作用机制[J].中国医药科学,2023,13(23):35-39,5.基金项目
江苏省老年健康科研项目(LR2021030) （LR2021030）
镇江市老中医药专家学术经验继承工作项目(镇卫中医[2022]10号) （镇卫中医[2022]10号）
镇江市"金山医者"医学领域人才培养对象项目(镇卫财务[2022]58号 （）
镇财社[2022]142号). （）
