[1]谢淑君,袁海静,范婷婷,等.基于GEO数据库及网络药理学探讨六郁汤辅助治疗重度抑郁症的作用机制[J].医学信息,2023,36(20):16-23.[doi:10.3969/j.issn.1006-1959.2023.20.003]
 XIE Shu-jun,YUAN Hai-jing,FAN Ting-ting,et al.Analysis of the Mechanism of Liuyu Decoction in the Adjuvant Treatment of Major Depressive Disorder Based on GEO Database and Network Pharmacology[J].Journal of Medical Information,2023,36(20):16-23.[doi:10.3969/j.issn.1006-1959.2023.20.003]
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基于GEO数据库及网络药理学探讨六郁汤辅助治疗重度抑郁症的作用机制()
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医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
36卷
期数:
2023年20期
页码:
16-23
栏目:
生物信息学
出版日期:
2023-10-15

文章信息/Info

Title:
Analysis of the Mechanism of Liuyu Decoction in the Adjuvant Treatment of Major Depressive Disorder Based on GEO Database and Network Pharmacology
文章编号:
1006-1959(2023)20-0016-08
作者:
谢淑君袁海静范婷婷
(广州中医药大学第三附属医院血液肿瘤科,广东 广州 510378)
Author(s):
XIE Shu-junYUAN Hai-jingFAN Ting-tinget al.
(Department of Hematology Oncology,the Third Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510378,Guangdong,China)
关键词:
六郁汤GEO芯片网络药理学分子对接重度抑郁症
Keywords:
Liuyu decoctionGEO databaseNetwork pharmacologyMolecular dockingMajor depressive disorder
分类号:
R749.4
DOI:
10.3969/j.issn.1006-1959.2023.20.003
文献标志码:
A
摘要:
目的 基于GEO芯片和网络药理学及分子对接技术探讨六郁汤辅助治疗重度抑郁症(MDD)的潜在机制。方法 通过TCMSP数据库筛选六郁汤有效成分及靶点,借助Uniprot数据库对这些靶点进行规范化。从基因表达综合数据库(GEO)获取MDD患者差异表达基因。通过软件获取六郁汤与MDD的交集靶点基因,进一步筛选核心靶基因,并对核心靶点进行GO和KEGG富集分析。利用AutoDock Vina软件进行分子对接,PyMOL软件可视化。结果 六郁汤与MDD交集靶点基因共117个,其中AKT1、IL1B、TP53、CASP3、MMP9为筛选出的5个核心基因。六郁汤主要通过靶向脂质与动脉粥样硬化、神经活性配体-受体相互作用、AGE-RAGE信号通路、PI3K-Akt信号通路等发挥调控作用。六郁汤的核心活性成分槲皮素、木犀草素,与对应的核心靶点AKT1、IL1B、TP53、CASP3、MMP9之间均有较强的结合活性。结论 六郁汤治疗MDD具有多成分、多靶点、多通路等多因协同的作用特点。
Abstract:
Objective To explore the potential mechanism of Liuyu decoction in the adjuvant treatment of major depressive disorder (MDD) by using GEO chip and network pharmacology and molecular docking technology.Methods The active ingredients and targets of Liuyu decoction were screened by TCMSP database, and the targets were standardized by Uniprot database. Differentially expressed genes in MDD patients were obtained from GEO. Through the online software, the intersection target genes of Liuyu decoction for MDD were obtained, and the core targets were analyzed by GO and KEGG enrichment analysis. Molecular docking was performed with AutoDock Vina software and visualized with PyMOL software.Results There are 117 target genes at the intersection of Liuyu decoction and MDD, of which AKT1、IL1B、TP53、CASP3 and MMP9 were the 5 core genes screened. Liuyu decoction mainly played a regulatory role by targeting lipid and atherosclerosis, neuroactive ligand-receptor interaction, AGE-RAGE signaling pathway, PI3K-Akt signaling pathway, etc. There was a strong binding activity between quercetin and luteolin, the core active ingredients of Liuyu decoction, and the corresponding core targets AKT1, IL1B, TP53, CASP3 and MMP9.Conclusion The treatment of MDD by Liuyu decoction has the characteristics of multi-component, multi-target, multi-pathway and other multi-cause synergistic effects.

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更新日期/Last Update: 1900-01-01