| 摘要: |
| 目的：利用网络药理学及分子对接手段探究健脑通络胶囊治疗血管性痴呆（vascular dementia，VD）的潜在作用机制。方法：筛选健脑通络胶囊活性成分，预测活性成分潜在作用靶点，挖掘VD的潜在靶点，将VD潜在靶点与活性成分潜在作用靶点取交集，获得交集靶点；构建健脑通络胶囊抗VD的“药材-成分-疾病靶点”交叉关联网络及蛋白质-蛋白质相互作用（protein-protein interaction，PPI）网络；对交集靶点进行基因本体（gene ontology，GO）功能富集分析和京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）通路富集分析；应用分子对接技术对上述结果进一步分析和验证。结果：共筛选出168种活性成分，作用于酪氨酸蛋白激酶（non-receptor tyrosine kinase，SRC）、蛋白激酶B1（protein kinase B1，AKT1）、信号传导转录激活因子3（signal transducer and activator of transcription 3，STAT3）等靶点，涉及磷脂酰肌醇激酶-3/蛋白激酶B（phosphatidylinositol 3-kinase/protein pinase B，PI3K/Akt）信号通路、丝裂原活化蛋白激酶（mitogen-activated protein kinase，MAPK）信号通路、细胞凋亡通路、脂质和动脉粥样硬化、Ras相关蛋白1（ras-associated protein 1，Rap1）信号通路；分子对接结果表明健脑通络胶囊主要活性成分与核心靶点之间具有较好的结合活性。结论：健脑通络胶囊是通过多成分、多靶点、多条信号通路协同治疗VD，为后续新药转化及大品种孵育提供了参考依据。 |
| 关键词: 健脑通络胶囊 血管性痴呆 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Jiannao Tongluo capsules in treatment of vascular dementia：An analysis of the popular prescription based on network pharmacology and molecular docking |
| WANG Shuohui,ZHANG Ning,YANG Zehua |
| (Hunan Provincial Hospital of Integrated Traditional Chinese and Western Medicine，Changsha 410006，Hunan，China;Hunan Medical Products Administration，Changsha 410013，Hunan，China) |
| Abstract: |
| Objective：To investigate the potential mechanism of action of Jiannao Tongluo capsules in the treatment of vascular dementia （VD）based on network pharmacology and molecular docking.Methods：The active components of Jiannao Tongluo capsules were obtained，and their potential action targets were predicted.The potential targets of VD were obtained，and intersecting targets were obtained for the potential targets of VD and the potential action targets of active components.A drug-component-diseases target interaction network and a protein-protein interaction network were constructed for Jiannao Tongluo capsules in the treatment of VD.Gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were performed for the intersecting targets.Molecular docking was performed to further analyze and validate the above results.Results：A total of 168 active components were obtained，which acted on the targets such as non-receptor tyrosine kinase，protein kinase B1，and signal transducer and activator of transcription 3，and the pathways involved included the phosphatidylinositol 3-kinase/protein kinase B signaling pathway，the mitogen-activated protein kinase signaling pathway，the cell apoptosis pathway，the lipid and atherosclerosis pathway，and the ras-associated protein 1 signaling pathway.Molecular docking showed good binding activities between the main active components of Jiannao Tongluo capsules and the core targets.Conclusion：Jiannao Tongluo capsules exert a therapeutic effect on VD through multiple components，targets，and signaling pathways，which provides a reference for new drug development and cultivation of major pharmaceutical products in the future. |
| Key words: Jiannao Tongluo capsules vascular dementia network pharmacology molecular docking |
