| 夏玲，郭盛，钱大玮，武文星，卜凡淑，朱悦，赵明，牛阳，段金廒.基于网络药理学和分子对接技术研究八珍益智方治疗阿尔茨海默病的潜在作用机制[J].南京中医药大学学报(社会科学版),2020,36(6):876-881. |
| 基于网络药理学和分子对接技术研究八珍益智方治疗阿尔茨海默病的潜在作用机制 |
| Exploration on the Mechanism of Bazhen Yizhi Prescription in Treating Alzheimer's Disease Based on Network Pharmacology and Molecular Docking |
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| DOI： |
| 中文关键词: 关键词：八珍益智方 阿尔茨海默病 网络药理学 分子对接技术 |
| 英文关键词: Bazhen Yizhi Prescription Alzheimer's disease network pharmacology molecular docking |
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| 中文摘要: |
| 目的 利用网络药理学方法及分子对接技术，研究八珍益智方治疗阿尔茨海默病（Alzheimer's disease，AD）的潜在药效物质基础和作用机制，为其临床应用提供理论依据。方法 通过TCMSP、BATMAN-TCM、TCMID、中国知网（CNKI）和Pubmed数据库检索八珍益智方8味组方药材化学成分和作用靶点；通过GeneCards、OMIM数据库查询AD的相关靶点；利用R语言3.6.3得到药物和疾病的交集靶点；借助String数据库和Cytoscape 3.7.2软件构建PPI网络，筛选核心靶点；通过DAVID数据库进行GO功能富集分析和KEGG通路富集分析；利用AutoDock tools 1.5.6、AutoDock vina 1.1.2进行分子对接。结果 八珍益智方共收集到200个化学成分和226个靶点，Cytoscape 3.7.2软件筛选出包括AKT1、MAPK3、IL-6、VEGFA、CASP3等37个核心靶点，槲皮素、山柰酚、柚皮苷、豆甾醇、7-甲氧基-2-甲基异黄酮等15个核心化合物。GO富集分析得到1 331个条目（P<0.05），KEGG通路富集得到相关通路65条（P<0.05）。分子对接结果显示15个核心化合物和AKT1、MAPK3、IL-6、VEGFA、CASP3具有较好的亲和力。结论 八珍益智方治疗AD的通路主要涉及癌症的途径、MAPK信号通路、前列腺癌、神经活性配体-受体相互作用、钙信号通路等，研究结果为八珍益智方治疗AD作用机制的进一步阐明提供了指引。 |
| 英文摘要: |
| OBJECTIVE To provide a theoretical basis for the clinical application of Bazhen Yizhi Prescription (BZYZP)， an exploration of the potential mechanism of BZYZP in the treatment of Alzheimer's disease (AD) was performed using network pharmacology and molecular docking. METHODS TCMSP， BATMAN-TCM， TCMID， CNKI and Pubmed database were used to search the compounds and the targets of BZYZP. The AD-related targets were screened by the GeneCards and OMIM databases. R3.6.3 was applied to get the cross targets between drugs and disease. PPI network was constructed by String database and Cytoscape 3.7.2， the core targets were screened. Gene ontology (GO) functional enrichment analysis and KEGG pathway enrichment analysis were performed by DAVID. AutoDock tools 1.5.6 and AutoDock Vina 1.1.2 were used for Molecular docking. RESULTS Total of 200 active components were screened from BZYZP， corresponding to 226 targets. Among them， there were 37 core targets including AKT1， MAPK3， IL-6， VEGFA， and CASP3， and 15 core compounds， such as quercetin， kaempferol， naringin， stigmasterol， 7-methoxy-2-methyl isoflavone. Total 1 331 (P<0.05) and 65 pathways (P<0.05) were obtained by GO analysis and KEGG analysis. The results of molecular docking showed that 15 core compounds had a good affinity with AKT1， MAPK3， IL-6， VEGFA and CASP3. CONCLUSION The pathways of BZYZP in the treatment of AD mainly involve the pathway of cancer， MAPK signal pathway， prostate cancer， neuroactive ligand-receptor interaction， calcium signal pathway. The results of this study may guide the elucidation of the mechanism of BZYZP in the treatment of AD. |
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