[1]罗星星,雷励,黎辉.基于网络药理学和分子对接探讨中风醒脑液治疗脑出血的作用机制[J].西部中医药,2026,39(03):84-91.[doi:10.12174/j.issn.2096-9600.2026.03.17]
　LUO Xingxing,LEI Li,LI Hui.Network Pharmacology and Molecular Docking Based Discussion on Stroke-Waking Liquid in the Treatment of Cerebral Hemorrhage[J].Western Journal of Traditional Chinese Medicine,2026,39(03):84-91.[doi:10.12174/j.issn.2096-9600.2026.03.17]
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基于网络药理学和分子对接探讨中风醒脑液治疗脑出血的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
39
期数:
2026年03期
页码:
84-91
栏目:
二次研究
出版日期:
2026-03-15

文章信息/Info

Title:
Network Pharmacology and Molecular Docking Based Discussion on Stroke-Waking Liquid in the Treatment of Cerebral Hemorrhage
作者:
罗星星, 雷励, 黎辉
广州中医药大学第一附属医院重庆医院/重庆市北碚区中医院,重庆 北碚 400700
Author(s):
LUO Xingxing, LEI Li, LI Hui
Chongqing Hospital, the First Affiliated Hospital of Guangzhou University of Chinese Medicine/ Beibei District Hospital of TCM, Chongqing 400700, China
关键词:
脑出血; 中风醒脑液; 网络药理学; 分子对接; 作用机制
Keywords:
cerebral hemorrhage; liquid; network pharmacology; molecular docking; mechanism
分类号:
R277
DOI:
10.12174/j.issn.2096-9600.2026.03.17
文献标志码:
A
摘要:
目的基于网络药理学和分子对接技术探讨中风醒脑液治疗脑出血的作用机制。 方法利用中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）获取中风醒脑液所含药物的主要活性成分及其靶点，根据吸收、分布、代谢和排泄筛选中药活性组分，通过OMIM、DisGenet、Genecards数据库筛选出与脑出血相关的靶点，选取三者之间的相同靶点并通过Venn Diagram绘制韦恩图；通过Venn Diagram得到中风醒脑液与脑出血的共同靶点，通过Cytoscape绘制中药-活性成分-靶点网络图，利用STRING进行蛋白质相互作用（protein-protein interaction，PPI）分析，构建PPI网络，并进行基因本体论（gene ontology，GO）及基因组百科全书（Kyoto encyclopedia of genes and genomes，KEGG）分析。最后通过AutoDock及Pymol对关键靶点与相应活性成分进行分子对接验证。 结果共筛选出中风醒脑液活性药物化学成分31个，主要包含槲皮素、β-谷甾醇、杨梅酮、芦荟大黄素、豆甾醇、泽兰黄醇素、人参皂苷rh2、决明内酯、儿茶素、大黄酸；其中与疾病交集靶点116个，核心靶点为RB1、MAPK14、MAPK1、FOS、ESR1、AKT1、RELA、JUN、TP53；GO分析得出中风醒脑液治疗脑出血的机制主要涉及对脂多糖的反应、对细菌来源分子的反应、细胞对化学应激的反应、对氧化应激的反应、活性氧代谢过程；KEGG分析结果显示：脂质和动脉粥样硬化、流体剪切应力和动脉粥样硬化、HIF-1信号通路、IL-17信号通路、TNF信号通路为中风醒脑液治疗脑出血的主要信号通路。分子对接结果显示，关键活性成分与核心靶点具有较强的结合活性。 结论中风醒脑液可能通过槲皮素等多种活性成分，作用于RB1、MAPK1等多靶点，调控炎症、氧化应激及动脉粥样硬化等相关信号通路，从而发挥治疗脑出血的作用。充分体现了其多成分-多靶点-多通路的作用特点，为其临床作用机制提供了理论依据和研究思路。
Abstract:
ObjectiveTo explore the mechanism of Zhongfeng Xingnao liquid (stroke-waking liquid) in the treatment of cerebral hemorrhage based on network pharmacology and molecular docking. MethodsThe main active components and corresponding targets of the herbs in stroke-waking liquid were obtained from TCMSP. The active components were screened based on their absorption, distribution, metabolism, and excretion (ADME) properties. Targets related to intracerebral hemorrhage were identified by searching the OMIM, DisGenet, and GeneCards databases. The common targets among these datasets were selected, and a Venn diagram was generated using Venn Diagram software. Common targets of the liquid and intracerebral hemorrhage were identified using Venn Diagram. The herb-active component-target network was constructed using Cytoscape software. Protein-protein interaction (PPI) analysis was performed using the STRING database to construct a PPI network. Subse-quently, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were conducted. Consequently, molecular docking between key targets and corresponding active components was validated using AutoDock and Pymol. ResultsA total of 31 active chemical components were screened from Zhongfeng Xingnao liquid, mainly including quercetin, β-sitosterol, myricetin, aloe-emodin, stigmasterol, eupafolin, ginsenoside Rh2, toralactone, catechin, and rhein. Among them, 116 targets were found to intersect with the disease, and the core targets were RB1, MAPK14, MAPK1, FOS, ESR1, AKT1, RELA, JUN, and TP53. GO analysis revealed that the mechanisms of Zhongfeng Xingnao liquid in treating intracerebral hemorrhage primarily involve the response to lipopolysaccharide, response to molecules of bacterial origin, cellular response to chemical stress, response to oxidative stress, and reactive oxygen species metabolic process. KEGG pathway analysis indicated that the main signaling pathways for Zhongfeng Xingnao liquid in the treatment of intracerebral hemorrhage are lipid and atherosclerosis, fluid shear stress and atherosclerosis, HIF-1 signaling pathway, IL-17 signaling pathway, and TNF signaling pathway. Molecular docking results showed that the key active components exhibited strong binding activity with the core targets. Conclusion Zhongfeng Xingnao liquid may exert its therapeutic effect on intracerebral hemorrhage through multiple active components such as quercetin, acting on multiple targets including RB1 and MAPK1, and regulating signaling pathways related to inflammation, oxidative stress, and atherosclerosis. This fully reflects its multi-component, multi-target, and multi-pathway mechanism of action, providing a theoretical basis and research direction for its clinical mechanism of action.

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备注/Memo

备注/Memo:
广东省重点领域研发计划项目（2020B1111100009）。罗星星（1998—），女，硕士学位，中医师。研究方向：中医药治疗脑血管疾病。
更新日期/Last Update: 2026-03-15