实用中医内科杂志2025，Vol.39Issue(8)：69-72,后插14-后插16,7.DOI:10.13729/j.issn.1671-7813.Z24120406
基于网络药理学和分子对接探讨香青兰总黄酮对脑缺血/再灌注损伤的作用机制
Exploring the Mechanism of Total Flavonoids of Dracocephalummoldavica L on Protecting Cerebral Ischemia Reperfusion Injury Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the active ingredients of traditional Chinese medicine total flavonoids of Dracocephalummol-davica L for the treatment of cerebral ischemia/reperfusion injury(CIRI)based on network pharmacology,and to explore the binding ability of active ingredients and target proteins by molecular docking,in an effort to identify small molecules with high specificity for targeting and improving CIRI.Methods According to TCMSP,HERB database and related literature combined with Pubchem and Swiss Institute of Bioinformatics,the monomers of total flavonoids of Dracocephalummoldavica L were screened.GeneCards,OMIM and DisGeNET databases were used to screen the related targets of CIRI.The intersection genes were screened by jvenn and Venn map was drawn.The protein interaction network map was drawn by STRING database.The intersection genes were enriched by GO and KEGG using Weishengxin platform and Metacape data.The active monomer components were molecular-docked with the core genes.Result Twenty active monomer components were selected from total flavones of Vanilla vanilla,and 2053 targets related to CIRI were predicted.GO and KEGG enrichment analysis showed that active monomer components of total flavonoids of Dracocephalummoldavica L could improve CIRI mainly related to biological processes such as response to hy-poxia,negative regulation of apoptosis process,and inflammatory response.The involved pathways include oxidative stress,ap-optosis,PI3K-Akt,etc.Conclusion Total flavonoids of Dracocephalummoldavica L mayimprove CIRI with a multi-compo-nent,multi-target effect.The main active monomer components have different binding abilities to different targets,so extracting high-purity,highly specific active monomer components may enhance the targeted improvement of CIRI by total flavonoids of Dracocephalummoldavica L.关键词
香青兰总黄酮/脑缺血/再灌注损伤/网络药理学/分子对接/机制Key words
Total flavonoids of Dracocephalummoldavica L/Cerebral ischemia reperfusion injury/Network pharmacology/Mo-lecular docking/Mechanism分类
医药卫生引用本文复制引用
华志鹏,杨占君,贾建新,杨志甫..基于网络药理学和分子对接探讨香青兰总黄酮对脑缺血/再灌注损伤的作用机制[J].实用中医内科杂志,2025,39(8):69-72,后插14-后插16,7.基金项目
国家自然科学基金项目(81860215) （81860215）
内蒙古自治区高等学校创新团队发展计划项目(NMGIRT2328) （NMGIRT2328）
内蒙古自然科学基金项目(2021MS08053) （2021MS08053）
