| 曲迪,薛傲,赵晨宇,徐艳明,薛慧,耿放,赵继会,杨波,张宁.基于GC-MS技术结合网络药理学探究石菖蒲挥发油抗阿尔兹海默症的作用机制[J].中国药事,2023,(10):1129-1139 |
| 基于GC-MS技术结合网络药理学探究石菖蒲挥发油抗阿尔兹海默症的作用机制 |
| Exploring the Mechanism of the Effect of Volatile Oil of Acorus Tatarinowii on Anti-Alzheimer's Disease Based on GC-MS Combined with Network Pharmacology |
| 投稿时间：2023-03-22 |
| DOI：10.16153/j.1002-7777.2023.10.005 |
| 中文关键词: 网络药理学 石菖蒲挥发油 阿尔兹海默症 气相色谱-质谱 分子对接 |
| 英文关键词: network pharmacology volatile oil of Acorus tatarinowii Alzheimer's disease GC-MS molecular docking |
| 基金项目:国家自然科学基金面上项目（编号 82174007）；中央支持地方高校改革发展资金人才培养项目：二至丸防治AD作用机理研究；黑龙江省卫生健康委科研课题（编号 2020-303）；黑龙江中医药大学基金项目（编号 2018RCD19，2019BJP01）；黑龙江省自然科学基金优秀青年项目（编号 YQ2019H001） |
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| 中文摘要: |
| 目的：通过气相色谱-质谱（GC-MS）技术分析石菖蒲挥发油的化学成分并结合网络药理学研究石菖蒲挥发油抗阿尔兹海默症（AD）的作用机制。方法：采用GC-MS技术对石菖蒲挥发油成分进行精准鉴定，运用TCMSP、Swiss Target Prediction数据库对石菖蒲挥发油成分的作用靶点进行预测。利用 Genecards、OMIM数据库获得AD疾病靶点。绘制韦恩图并提取交集靶点，随后对其进行PPI网络构建和拓扑分析、GO富集分析和KEGG通路富集分析，建立“成分-靶点-疾病-通路”网络图；并采用分子对接技术进行验证。结果：经GC-MS分析共得到74个挥发油成分。获得成分疾病交集靶点138个，经PPI网络拓扑分析发现ALB、ACTB、TNF和IL-6 4个核心靶点。GO结果显示，石菖蒲挥发油可能通过激素的反应、对外源性物质刺激的反应和激素水平调节等来发挥抗AD的作用。KEGG结果表明，石菖蒲挥发油可作用于PI3K-Akt、cGMP-PKG、NF-κB和cAMP 等信号通路对AD进行干预。分子对接结果表明，石菖蒲挥发油中有效成分与核心靶点具有较好的结合活性。结论：石菖蒲挥发油可通过多靶点和多通路抑制神经炎症和减少氧化应激发挥其抗AD的作用。 |
| 英文摘要: |
| Objective: To analyze the chemical components of volatile oil of Acorus tatarinowii by gas chromatography-mass spectrometry (GC-MS) and study the mechanism of its eff ect against Alzheimer's disease (AD) by network pharmacology. Methods: GC-MS technique was used to accurately identify volatile oil components of Acorus tatarinowii, TCMSP and Swiss Target Prediction databases were used to predict the target of volatile oil components. AD disease targets were obtained using Genecards and OMIM databases, the Venn diagram was drawn and the intersection targets were extracted, then PPI network construction was conducted, topology analysis and Go enrichment analysis and KEGG pathway enrichment analysis, were carried on to establish the "component-target-disease-pathway" network diagram. Molecular docking was used to verify the binding degree of volatile oil components to core targets. Results: 74 volatile oil components were obtained by GC-MS analysis. 138 intersection targets of component and diseases were obtained. PPI network topology analysis revealed four core targets: ALB, ACTB, TNF and IL-6. GO results showed that the volatile oil of Acorus tatarinowii might play an anti-AD role through the response of hormones, the response to exogenous substance stimulation, and the regulation of hormone levels. KEGG results showed that volatile oil of Acorus tatarinowii could interfere with AD by acting on PI3K-Akt, cGMP-PKG, NF-κB and cAMP signaling pathways. Molecular docking results showed that the active components in the volatile oil of Acorus tatarinowii had good binding activity with the core targets. Conclusion: The volatile oil of Acorus tatarinowii can inhibit neuroinfl ammation and reduce oxidative stress through multiple targets and pathways to exert its anti-AD eff ect. |
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