天津中医药2024，Vol.41Issue(6)：781-788,8.DOI:10.11656/j.issn.1672-1519.2024.06.18
基于网络药理学和分子对接探讨参芪五味子胶囊治疗焦虑症的机制
Exploration of the mechanism of Shenqi Wuweizi Capsule in treating anxiety disorder based on network pharmacology and molecular docking
摘要
Abstract
[Objective]To explore the mechanism of Shenqi Wuweizi Capsule in the treatment of anxiety disorder through network pharmacology and molecular docking technology.[Methods]TCMSP database was used to predict and screen the main bioactive ingredients and their targets of Shenqi Wuweizi Capsule,and integrate with the targets of anxiety disorders which were selected by GeneCards,OMIM,DisGeNET and TTD database.The protein-protein interaction(PPI)network was mapped with String platform,and the gene ontology(GO)annotation function and the Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were carried out.Make the network diagram of"drug-composition-target"and"composition-target-pathway"based on Cytoscape software;The Autodock molecular docking technique was used to verify the key target and the key active ingredients in Shenqi Wuweizi Capsule.[Results]The 238 component targets,919 disease targets and 62 intersection targets were obtained,and 19 core targets were selected by CytoNCA plug-in.GO analysis showed that it mainly involved in signal transduction,positive regulation of gene expression,isoprotein binding,extracellular ligand-gated ion channel activity,benzodiazepine receptor activity,etc.KEGG analysis showed that the main enrichment pathways included AGE-RAGE signaling pathway,neuroactive ligand-receptor interaction pathway,fluid shear stress and atherosclerosis pathway.Molecular docking showed that the binding energy of 36 groups of key targets and active ingredients was less than-20.98 kJ/mol,which proved that the binding was good.[Conclusion]Shenqi Wuweizi Capsule can play a role in the treatment of anxiety disorder through multi-component,multi-target and multi-pathway,providing research ideas for the follow-up study of Shenqi Wuweizi Capsule in the treatment of anxiety disorder.关键词
参芪五味子胶囊/焦虑症/网络药理学/分子对接/机制研究Key words
Shenqi Wuweizi Capsule/anxiety disorder/network pharmacology/molecular docking/mechanism study分类
医药卫生引用本文复制引用
闫景顺,朱林平,张红霞,李雯玥,吕鑫良,李晓凤,李玉红..基于网络药理学和分子对接探讨参芪五味子胶囊治疗焦虑症的机制[J].天津中医药,2024,41(6):781-788,8.基金项目
国家自然科学基金资助项目(81973624,82004329) （81973624,82004329）
全国名老中医药专家杜武勋传承工作室(国中医药人教函[2022]75号) （国中医药人教函[2022]75号）
第五批全国中医临床优秀人才研修项目(国中医药人教函[2022]1号) （国中医药人教函[2022]1号）
天津市卫生健康委中医经典传承高级人才研修项目(津卫中便函[2022]727号) （津卫中便函[2022]727号）
天津市名中医杜武勋传承工作室. （）
