基于网络药理学与分子对接的黄精治疗阿尔茨海默病机制研究。

IF 2.7 4区 医学 Q3 NEUROSCIENCES
Qiong Zhou, Xiaoman Huang, Zihao Chen, Fuwei Wang, Lihua Xie, Qiang Sun, Jikun Du, Jiantao Lin, Baohong Li, Li Li
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引用次数: 0

摘要

目的:采用网络药理学方法和体外实验验证,探讨黄精治疗阿尔茨海默病(AD)的作用机制。材料与方法:首先,利用中药系统药理学(TCMSP)和UniProt蛋白数据库筛选RP的主要有效成分和靶蛋白。使用DisGeNET数据库预测ad相关靶标。随后,利用STRING分析蛋白-蛋白相互作用(Protein-protein interaction, PPI)网络和核心靶点。使用DAVID进行GO注释,使用KEGG插件对KEGG通路进行富集分析。AutoDockTools检测分子对接。体外实验证实了RP对AD的作用机制。结果:筛选到8种有效成分,76个潜在靶点,3397个ce相关基因,58个重叠靶点。通过PPI网络分析4个靶蛋白。RP和AD共有451个GO生物过程项目和150个KEGG信号通路。分子对接结果表明,薯蓣皂苷元(Dio)对AKT1和Caspase 3具有较强的结合能力。Dio通过AKT1/Caspase 3途径抑制体外谷氨酸诱导的SH-SY5Y细胞凋亡。结论:本研究通过网络药理与体外实验相结合,揭示了RP治疗AD的潜在机制,为临床应用提供了理论依据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mechanism of Rhizoma Polygonati in the treatment of Alzheimer's disease based on network pharmacology and molecular docking.

Objective: The therapeutic mechanisms of Rhizoma Polygonati (RP) on Alzheimer's disease (AD) were explored using network pharmacology methods and in vitro experiments for validation.

Materials and methods: First, the main active ingredients and target proteins of RP were screened using Traditional Chinese Medicine Systems Pharmacology (TCMSP) and UniProt protein database. AD-related targets were predicted using the DisGeNET database. Subsequently, Protein-protein interaction (PPI) networks and core targets were analyzed using STRING. DAVID was utilized for GO annotation, while KEGG plug-in was employed to perform enrichment analysis of KEGG pathways. AutoDockTools were examined molecular docking. And the RP mechanism on AD was confirmed in vitro experimentation.

Results: Screening identified 8 active ingredients, 76 potential targets, and 3397 CE-related genes, with 58 overlapping targets. 4 target proteins were analyzed through the PPI networks. The RP and AD shared 451 GO biological process items and 150 KEGG signal pathways. Molecular docking results showed that diosgenin (Dio) had strong binding abilities to AKT1 and Caspase 3. Dio inhibited apoptosis through AKT1/Caspase 3 pathway in the glutamate-induced SH-SY5Y cells in vitro.

Conclusion: The study revealed RP's potential mechanisms in treating AD, offering a theoretical basis for clinical use, by integrating network pharmacology with in vitro experiments.

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来源期刊
Brain Research
Brain Research 医学-神经科学
CiteScore
5.90
自引率
3.40%
发文量
268
审稿时长
47 days
期刊介绍: An international multidisciplinary journal devoted to fundamental research in the brain sciences. Brain Research publishes papers reporting interdisciplinary investigations of nervous system structure and function that are of general interest to the international community of neuroscientists. As is evident from the journals name, its scope is broad, ranging from cellular and molecular studies through systems neuroscience, cognition and disease. Invited reviews are also published; suggestions for and inquiries about potential reviews are welcomed. With the appearance of the final issue of the 2011 subscription, Vol. 67/1-2 (24 June 2011), Brain Research Reviews has ceased publication as a distinct journal separate from Brain Research. Review articles accepted for Brain Research are now published in that journal.
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