摘要
基于网络药理学探究养心开郁片治疗抑郁症的分子机制。通过TCMSP、Drug Bank和Swiss Target Prediction数据库挖掘药物活性成分及对应靶基因,并构建成分-靶点互作网络。利用GeneCarts获取抑郁症相关基因,与药物靶基因取交集获得核心基因,并对其进行PPI、GO和KEGG通路分析,最后利用分子对接进行初步验证。结果表明养心开郁片主要通过槲皮素、山奈酚、谷甾醇等28个活性成分作用于MAPK1、AKT1和JUN等基因,并通过PI3K-Akt、MAPK1和神经活性配体-受体交互等信号通路起到治疗抑郁症的效果。
The mechanism of Yangxinkaiyu tablets in the treatment of depression was investigated based on network pharmacology and data mining. The chemical constituents of antidepressant, constituents target and disease targets were retrieved from TCMSP, Gene Carts and OMIM databases. Constituent-target gene and core gene networks were constructed to decipher the mechanism of medicine against depression. Furthermore, the core genes were analyzed through PPI,GO enrichment analysis and KEGG pathway, then, preliminary verification was carried out by molecular docking. The results showed that Yangxinkaiyu tablets mainly acts on MAPK, AKT1 and JUN genes through 28 active components such as quercetin, kaempferol and sitosterol, and plays a role in the treatment of depression through PI3 K-Akt, MAPK and neural active ligand-receptor interaction signaling pathways. In addition, Molecular docking results showed that quercetin and kaempferol could stably bind to MAPK1 and AKT1, proving that quercetin and kaempferol and other active ingredients in Yangxinkaiyu tablets could affect depression-related metabolic pathways and thus achieve the purpose of anti-depression.
作者
龙婷婷
李倩
陈雨点
彭念
刘文书
李勇昊
Long Tingting;Li Qian;Chen Yudian;Peng Nian;Liu Wenshu;Li Yonghao(College of Chemistry and Chemical Engineering,Chongqing University of Science and Technology,Chongqing 401331;Chongqing Key Laboratory of Industrial Fermentation Microorganisms(Chongqing University of Science and Technology),Chongqing 401331,China)
出处
《广东化工》
CAS
2021年第23期37-39,36,共4页
Guangdong Chemical Industry
基金
重庆市科委基础研究与前沿探索一般项目(cstc2018jcyj AX0064)
重庆科技学院硕士研究生科技创新训练计划项目(YKJCX2020502,YKJCX2120505)。
关键词
槲皮素
山奈酚
网络药理学
抑郁症
养心开郁片
quercetin
kaempferol
network pharmacology
depression
Yangxinkaiyu tablets
