基于网络药理学和分子对接技术分析八宝益智方 改善阿尔茨海默病的多靶点协同机制
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R285.5

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2023年宝安区医疗卫生科研项目(2023JD123);深圳市宝安区中医院2024年度创新转化项目(2024CZZHMS14)


Analysis of Multi-Target Synergistic Mechanism of Babao Yizhi Prescription in Improving Alzheimer's Disease Based on Network Pharmacology and Molecular Docking Technology
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    摘要:

    目的:采用网络药理学与分子对接技术分析八宝益智方防治阿尔茨海默病(AD) 的作用机制。 方法:利用TCMSP、ETCM、HERB数据库获取八宝益智方8味中药的活性成分,通过Swiss Target Prediction 平台获得其潜在靶点,在Uniprot数据库对靶点进行规范,在Genecards、OMIM、TTD获取AD的基因靶点,通 过韦恩图获取共同靶点,利用STRING平台和Cytoscape软件构建PPI网络并进行可视化处理。借助微生信平台 进行KEGG及GO分析,采用AutoDock Tools 1.5.7进行分子对接。结果:194种八宝益智方有效成分作用于 1 071个蛋白靶点基因,与1 625个AD靶点基因比对后,得到250个潜在靶点基因(交集靶点),PPI网络得到 53个节点,979条边。3,4,5-三甲氧基肉桂酸、人参皂甙-Rh4_qt、山奈酚、普热醌C为八宝益智方治疗AD的 有效成分,核心靶点为AKT1、TP53、IL6、TNF、IL1β。KEGG分析得到183条通路,GO分析得到890个生物 过程、115个细胞组成、204个分子功能。分子对接结果表明有效成分与靶点结合能均小于-5 kcal/mol。结论: 八宝益智方的主要成分通过作用于AKT1、TP53、IL6、TNF、IL1β等靶点,多途径改善AD,为临床应用中药 复方改善AD提供科学依据和研究思路。

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    Abstract:Objective:To analyze the mechanism of action of Babao Yizhi Prescription in preventing and treating Alzheimer's disease (AD) using network pharmacology and molecular docking technology. Methods: The active components of the eight Chinese herbs in Babao Yizhi Prescription were obtained from TCMSP, ETCM, and HERB databases. Their potential targets were predicted via the Swiss Target Prediction platform, and standardized using the UniProt database. Gene targets related to AD were retrieved from GeneCards, OMIM, and TTD databases. Common targets were identified using a Venn diagram. A protein-protein interaction (PPI) network was constructed and visualized using the STRING platform and Cytoscape software. KEGG pathway enrichment analysis and GO functional enrichment analysis were performed using the Weishengxin Online Bioinformatics platform,and molecular docking was conducted with AutoDock Tools 1.5.7. Results:A total of 194 active components of Babao Yizhi Prescription acted on 1 071 protein target genes. After matching with 1 625 AD-related target genes,250 potential intersection targets were obtained. The PPI network contained 53 nodes and 979 edges. The key active components of Babao Yizhi Prescription for AD treatment included 3,4,5-trimethoxycinnamic acid, ginsenoside-Rh4_qt, kaempferol, and przewal quinone C. The core targets were AKT1, TP53, IL6, TNF, and IL1β. KEGG analysis identified 183 pathways, while GO analysis yielded 890 biological processes,115 cellular components,and 204 molecular functions. Molecular docking results showed that the binding energies between all key active components and core targets were less than -5 kcal/mol. Conclusion: The main components of Babao Yizhi Prescription improve AD through multiple pathways by acting on targets such as AKT1,TP53,IL6,TNF,and IL1β. This study provides a scientific basis and research ideas for the clinical application of Chinese herbal compounds in improving AD.

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常晴晴,庄逸洋,卢茵茵,施超琼,毕尚青.基于网络药理学和分子对接技术分析八宝益智方 改善阿尔茨海默病的多靶点协同机制[J].新中医,2026,58(1):197-203

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  • 在线发布日期: 2026-01-12
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