基于UPLC-Q-TOF-MS技术和网络药理学探讨阿尔泰金莲花提取物抗炎药效物质及作用机制*
作者：闫 莉1，王林洋2
单位：1.新疆医科大学中心实验室，新疆 乌鲁木齐 830011； 2.新疆医科大学中医学院，新疆 乌鲁木齐 830017
引用：引用：闫莉，王林洋.基于UPLC-Q-TOF-MS技术和网络药理学探讨阿尔泰金莲花提取物抗炎药效物质及作用机制[J].中医药导报,2025,31(7):57-62.
DOI：10.13862/j.cn43-1446/r.2025.07.009
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摘要：目的：分析阿尔泰金莲花提取物中的化学组分并挖掘其发挥抗炎作用的活性成分、作用靶点及通路。方法：采用超高效液相色谱-四级杆串联飞行时间质谱（UPLC-Q-TOF-MS）技术对阿尔泰金莲花提取物中的化学组分进行分析，结合网络药理学和分子对接的方法预测和初步验证其发挥抗炎作用的活性成分、作用靶点及通路。结果：阿尔泰金莲花提取物中共检测到51个化合物；发挥抗炎作用的关键活性成分有荭草苷、金丝桃苷、秦皮苷，关键核心靶点有表皮生长因子受体（EGFR），非受体酪氨酸激酶（SRC）、雌激素受体1（ESR1）、丝裂原活化蛋白激酶14（MAPK14）、热休克蛋白家族A成员8（HSPA8）；富集分析得到信号通路128条；分子对接验证表明，关键活性成分与核心靶点有较强的结合力。结论：阿尔泰金莲花中多含有黄酮、生物碱、酚酸类等成分，其发挥抗炎作用是通过多成分、多靶点、多途径协同达成。
关键词：阿尔泰金莲花；抗炎；活性成分；超高效液相色谱-四级杆串联飞行时间质谱；网络药理学；分子对接
Abstract：
Objective:
To analyze the chemical components of Trollius altaicus C.A. Mey extract and
identify its anti-inflammatory active ingredients, targets, and pathways.
Methods: Chemical profiling was performed using ultra performance liquid
chromatography-quadrupole time-of-flight tandem mass spectrometry
(UPLC-Q-TOF-MS). Network pharmacology and molecular docking were combined to
predict and validate the active ingredients, targets, and pathways of
anti-inflammatory effects. Results: A total of 51 compounds were detected in
the extract. The key active ingredients that exert anti-inflammatory effects
include orientin, hyperoside and fraxin. The key core targets include epidermal
growth factor receptor (EGFR), sarcoma receptor coactivator (SRC), estrogen
receptor 1 (ESR1), mitogen activated protein kinase 14 (MAPK14) and heat shock
protein family A member 8 (HSPA8). Enrichment analysis revealed 128 signaling
pathways. Molecular docking verification showed that the key active ingredients
had strong binding affinity with the core target. Conclusion: Trollius altaicus
C.A. Mey contains flavonoids, alkaloids, phenolic acids, and other components,
and their anti-inflammatory effects are achieved through the synergistic action
of multiple components, targets, and pathways.
Key words：Trollius altaicus C.A. Mey; anti-inflammatory; active substances; ultra performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry; network pharmacology; molecular dockin
发布时间：2026-01-06
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