| 李玮.基于网络药理学和分子对接研究颐脑解郁方治疗抑郁症的作用机制[J].浙江中西医结合杂志,2022,32(11): |
| 基于网络药理学和分子对接研究颐脑解郁方治疗抑郁症的作用机制 |
| Mechanism of Yinao Jieyu Recipe in the treatment of depression based on network pharmacology and molecular docking |
| 投稿时间：2022-05-31 修订日期：2022-10-09 |
| DOI： |
| 中文关键词: 颐脑解郁方 抑郁症 网络药理学 分子对接 |
| 英文关键词:Yinao Jieyu Recipe depression network pharmacology molecular docking |
| 基金项目:温州市科技计划项目（Y2020888） |
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| 中文摘要: |
| 目的：采用网络药理学和分子对接的方法探讨颐脑解郁方治疗抑郁症的作用机制。方法：通过检索TCMSP、Symmap数据库获取颐脑解郁方的活性成分，利用 TCMSP、Uniport和Symmap预测活性成分的靶点，并通过GeneCards、OMIM、pharmgkb、TTD、DrugBank数据库检索抑郁症疾病靶点，将其疾病靶点取交集，进而将颐脑解郁方的活性成分靶点与抑郁症的疾病靶点取交集，利用Cytoscape构建药物成分-靶点网络，并使用STRING数据库构建蛋白相互作用网络(PPI)，进行核心基因的GO和KEGG富集分析，并使用Pymol、AutoDock Tools软件制作分子对接。结果：共获取颐脑解郁方组方中6味植物药的活性成分72个，对应1363个目标靶点；通过CytoNCA筛选出9个关键靶点；GO富集分析得到生物学过程2624条、分子功能243条以及细胞组分116条，主要与炎症反应、以及氧化应激过程相关；KEGG富集分析得出194条显著富集的通路，主要为 IL-17 信号通路、肿瘤坏死因子信号通路等，其功能主要涉及免疫系统调控、信号传导、内分泌系统、细胞生长与凋亡等。结论：颐脑解郁方可通过多个化合物作用于多个分子靶点发挥其对抑郁症的治疗作用，其分子机制主要涉及抑制炎症反应，减弱氧化应激等方面。 |
| 英文摘要: |
| Objective: To explore the mechanism of Yinao Jieyu Recipe in the treatment of depression by network pharmacology and molecular docking. Methods: The active components of Yinao Jieyu Recipe were obtained by searchingTCMSP and Symmap databases, and the targets of active components were predicted by TCMSP, Uniport and Symmap. The disease targets were intersected, and then the active ingredient targets of Yinao Jieyu Recipe were intersected with the disease targets of depression, and the drug ingredient-target network was constructed by Cytoscape, and the protein interaction network (PPI) was constructed by using the STRING database. GO and KEGG enrichment analysis of core genes, and use Pymol and AutoDock Tools software to make molecular docking. Results: A total of 72 active ingredients of 6 botanicals in Yinao Jieyu recipe were obtained, corresponding to 1363 target targets; 9 key targets were screened out by CytoNCA; 2624 biological processes and molecular functions were obtained by GO enrichment analysis 243 and 116 cellular components, mainly related to inflammatory response and oxidative stress process; KEGG enrichment analysis showed 194 significantly enriched pathways, mainly IL-17 signaling pathway, tumor necrosis factor signaling pathway, etc. Its functions mainly involve immune system regulation, signal transduction, endocrine system, cell growth and apoptosis. Conclusion: Yinao Jieyu Recipe can exert i Conclusion: Yinao Jieyu Recipe can exert its therapeutic effect on depression through multiple compounds acting on multiple molecular targets, and its molecular mechanism mainly involves inhibiting inflammatory response and reducing oxidative stress. |
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