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基于网络药理学结合分子对接探究黄芪-莪术改善中枢神经炎症作用机制

杨显翠 赵贝

神经药理学报2024,Vol.14Issue(6):13-20,8.
神经药理学报2024,Vol.14Issue(6):13-20,8.DOI:10.3969/j.issn.2095-1396.2024.06.002

基于网络药理学结合分子对接探究黄芪-莪术改善中枢神经炎症作用机制

Exploring the Mechanism of Action of Astragalus-Curcuma Zedoary in Ameliorating Central Neuroinflammation Based on Network Pharmacology Combined with Molecular Docking

杨显翠 1赵贝1

作者信息

  • 1. 大理大学基础医学院,大理,617000,中国
  • 折叠

摘要

Abstract

Objective:To investigate the potential targets and signaling pathways of Astragalus-Curcuma zedoary in ameliorating central nervous system inflammation based on network pharmacology and molecular docking.Methods:The main active ingredients and targets of the"Astragalus-Curcuma zedoary in"pair were searched in TCMSP database and BATMAN-TCM database,and the targets of CNS inflammation were screened in GeneCards database,and the network diagram of"drug-ingredient-target"was established by Cytoscape 3.7.1.Cytoscape 3.7.1 was used to establish the network diagram of"drug-component-target",and venny 2.1.0 was used to do the Wayne diagram intersection plot to obtain the intersection genes of Astragalus-curcuma zedoary in CNS inflammation.We used String database to obtain the protein interactions map,and analyzed the GO function enrichment and KEGG pathway enrichment of the targets by DAIVID,an online analysis platform,to screen out the functions of the target proteins and their related mechanism pathways.Results:Astragalus-curcuma zedoary contains 129 important active ingredients including quercetin,kaempferol,curcumol,and soybean sapogenins,which act on 543 potential targets for drug therapy of diseases including AKT1,STAT3,IL-6,IL-1β,TNF,BCL-2,IFNG,and JUN.GO and KEGG enrichment analyses revealed that these targets were widely enriched in HIF-1,TNF,and IL-1β,and HIF-1,TNF and IL-1β.The GO and KEGG enrichment analyses revealed that these targets were widely enriched in a series of signaling pathways,including HIF-1,TNF,and IL-17,and the core active ingredients were also tightly bound to the core targets.Conclusion:Astragalus-curcuma zedoary may regulate the HIF-1,TNF,and IL-17 pathways through the core targets of AKT1,STAT3,IL-6,IL-1β,TNF,BCL-2,IFNG,and JUN,which may play an ameliorative role in CNS inflammation,and thus provide scientific basis and reference for the treatment of CNS inflammation by traditional Chinese medicine.

关键词

网络药理学/分子对接/黄芪/莪术/中枢神经炎症

Key words

network pharmacology/molecular docking/astragalus/curcuma zedoary/central nervous system inflammation

分类

医药卫生

引用本文复制引用

杨显翠,赵贝..基于网络药理学结合分子对接探究黄芪-莪术改善中枢神经炎症作用机制[J].神经药理学报,2024,14(6):13-20,8.

神经药理学报

2095-1396

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