中医康复2024，Vol.1Issue(11)：34-40,7.DOI:10.19787/j.issn.2097-3128.2024.11.008
基于网络药理学与分子对接探讨黄芪-当归治疗脊髓损伤的作用机制
Mechanism of Huangqi-Danggui in Treatment of Spinal Cord Injury Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To investigate the mechanism of Astragalus(Huangqi)-Adangelicae(Danggui)in the treatment of spinal cord injury(SCI)by network pharmacology and molecular docking techniques.Methods:The active ingredients of Astragalus-Adangelicae were identified through TCMSP database,and the targets corresponding to the ingredients were screened by Swiss Target Prediction and TCMSP database;the targets related to spinal cord injury were identified by GeneCards and OMIM database;the software venny 2.1 was used to obtain the intersection of the two,and the potential targets for the treatment of SCI were obtained.We used Cytoscape to build a"drug-component-target-disease"network;used STRING database to build a protein interaction(PPI)network,and used Cytoscape-CytoNCA to screen the core targets.We performed GO and KEGG signal-ing pathway analysis of target genes through Metascape platform.Molecular docking operations were performed using AutoDock Vina software.Re-sults:A total of 22 active ingredients and 219 spinal cord injury-related targets were obtained for the Astragalus-Adangelicae drug pair.The molecu-lar network showed that Jaranol,quercetin,7-O-methylisomucronulatol,3,9-di-O-methylnissolin,Mairin and kaempferol were the main active ingre-dients,which may play a role in the treatment of SCI through TP53,AKT1,ESR1,SRC,JUN,EGFR and other targets via PI3K-Akt signaling path-way,JAK-STAT signaling pathway,apoptosis and other related signaling pathways,and participate in the regulation of protein kinase activity,tran-scription factor binding and other biological pathways.Conclusion:Astragalus-Angelica may play a role in treating of spinal cord injury by regulat-ing apoptosis and other related pathways after SCI,which provides a reference for further research and clinical application.关键词
脊髓损伤/黄芪/当归/网络药理学/分子对接Key words
spinal cord injury/Astragalus/Adangelicae/network pharmacology/molecular docking/signal pathways分类
医药卫生引用本文复制引用
郭淑慧,桂裕昌,林育森,姚庆吾..基于网络药理学与分子对接探讨黄芪-当归治疗脊髓损伤的作用机制[J].中医康复,2024,1(11):34-40,7.基金项目
广西自然科学基金青年科学基金项目(2022GXNSFBA035545) （2022GXNSFBA035545）
