文章摘要
| 戴诗琪 赵金辉 林志兴 李军茂 罗晓健 饶小勇 .基于 UPLC-Q-TOF/MS 整合网络药理学探讨通爽方治疗良性前列腺增生的效应
机制[J].江西中医药大学学报,2025,37(5):70-76. |
| 基于 UPLC-Q-TOF/MS 整合网络药理学探讨通爽方治疗良性前列腺增生的效应
机制 |
| Study on the Effect Mechanism of Tongshuang Prescription in the Treatment of Benign Prostatic Hyperplasia Based on UPLC-Q-TOF/MS Integrated Network Pharmacology |
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| DOI：10.20140/j.2095-7785.2025.05.18 |
| 中文关键词: 通爽方；良性前列腺增生；超高效液相色谱 - 四极杆飞行时间质谱；网络药理学；分子对接 |
| 英文关键词: Tongshuang Prescription; Benign Prostatic Hyperplasia; Ultra Performance Liquid Chromatography-Quadruple-Time of Flight
Mass Spectrometry; Network Pharmacology; Molecular Docking |
| 基金项目:南昌市高层次科技创新人才“双百计划”（洪科字［2022］321 号）。 |
| 作者 | 单位 | | 戴诗琪 1,2 赵金辉 1,2 林志兴 1 李军茂 1,2罗晓健 1,2 饶小勇 1,2 | 1. 江西中医药大学 南昌
330004 ；2. 中药固体制剂制造技术国家工程研究中心 南昌 330006 |
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| 中文摘要: |
| 目的：探究通爽方治疗良性前列腺增生（BPH）的有效成分和潜在机制。方法：采用超高效液相色谱 - 四极杆
飞行时间质谱（UPLC-Q-TOF/MS）测定通爽方提取物的主要成分，通过 Swiss Target、OMIM 数据库筛选成分靶点，运用
GeneCards、OMIM 等数据库筛选疾病靶点，利用 STRING 平台构建 PPI 网络选取关键靶点，利用 Metascape 数据库对药物
和疾病共有靶点进行 GO 和 KEGG 通路富集，通过 Cytoscape 3.9.1 软件构建“药物 - 成分 - 靶点 - 疾病”网络，并利用
AutoDock 软件对成分与核心靶点进行分子对接筛选出有效成分。结果：通爽方提取物中共鉴定出 36 个化合物。网络药理
学分析发现通爽方成分靶点 713 个，疾病靶点 1 667 个，交集靶点 218 个，筛选出 5 个核心靶点（GAPDH、TP53、TNF、
PTGS2、ESR1）。分子对接结果显示黄豆苷元、苯乙烯、β- 紫罗兰酮、山柰酚、槲皮素、杯苋甾酮、间伞花烃、杨梅素、芒
柄花素、7- 甲氧基香豆素与 5 个核心靶点具有较好的结合能力。结论：通爽方治疗 BPH 的活性成分为黄豆苷元、苯乙烯、
β- 紫罗兰酮、山柰酚、槲皮素、杯苋甾酮、间伞花烃、杨梅素、芒柄花素、7- 甲氧基香豆素，其机制可能与这些成分作用于
GAPDH、TP53、TNF、PTGS2、ESR1 等靶点调控有关。 |
| 英文摘要: |
| Objective: To investigate the active ingredients and potential mechanism of Tongshuang prescription in the treatment of benign
prostatic hyperplasia (BPH). Methods: Ultra performance liquid chromatography-quadruple-time of flight mass spectrometry (UPLC-QTOF/MS) was used to determine the main components of Tongshuang prescription. Swiss Target and OMIM databases were used to screen
the target of Tongshuang prescription. GeneCards and OMIM databases were used to screen the disease target. STRING platform was used
to construct PPI network to select the key target. Metascape database was used to enrich GO and KEGG pathways for the common targets of
drugs and diseases. The mechanism of Tongshuang prescription in the treatment of BPH was discussed. In addition, Cytoscape 3.9.1 software
was used to construct the "drug-component-target-disease" network, and AutoDock software was used to molecularly dock thecomponents
with the core targets to select the active ingredients. Results: A total of 36 compounds were identified. Network pharmacological analysis
revealed 713 Tongshuang prescription component targets, 1 667 disease targets, and 218 intersection targets, and five core targets (GAPDH,
TP53, TNF, PTGS2, ESR1) were selected. Molecular docking results showed that daidzein, styrene, β-ionone, kaempferol, quercetin,
amaranth sterone, m-Cymen, myricetin, formonetin, and 7-methoxycoumarin had good binding ability to five core targets. Conclusion:
Daidzein, styrene, β-ionone, kaempferol, quercetin, amaranth sterone, m-Cymen, myricetin, formonetin and 7-methoxycoumarin are the
active components of Tongshuang prescription in the treatment of BPH, and the mechanism may be related to the action of these components
on GAPDH,TP53,TNF,PTGS2 and ESR1 target regulation. |
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