基于UHPLC-Q Exactive HFX结合网络药理学分析人工麝香药渣成分及抗动脉粥样硬化作用机制

doi:10.3976/j.issn.1002-4026.2025132

山东科学

• 中药与天然活性产物 •

基于UHPLC-Q Exactive HFX结合网络药理学分析人工麝香药渣成分及抗动脉粥样硬化作用机制

陈聘¹，艾尼娃尔·艾克木²，张海燕³，田树革^1*

1.新疆医科大学中医学院，新疆乌鲁木齐 830017； 2.新疆和田学院，新疆和田特色中医药研究重点实验室，新疆和田 848000； 3.新疆新维制药有限公司，新疆和田 834000

收稿日期:2025-10-31 接受日期:2026-01-12 出版日期:2026-10-20 上线日期:2026-10-20
通信作者: 田树革 E-mail: tianshuge@xjmu.edu.com
作者简介:陈聘(2002—)，女，硕士研究生，主要从事中药分析、中药化学方面的研究，E-mail: chenpin@stu.xjmu.edu.cn。
基金资助:
新疆和田特色中医药研究重点实验室项目(202406-1)；新疆维吾尔自治区重大科技专项(2017A03005-2)

Analysis of chemical constituents and anti-atherosclerotic mechanism of artificial musk residues based on UHPLC-Q Exactive HFX combined with network pharmacology

CHEN Pin¹, Ainiwaer Aikemu^2,, ZHENG Haiyan³, TIAN Shuge^1*

1.College of Chinese Medicine, Xinjiang Medical University, Urumqi 830017, China; 2.Xinjiang Hetian College,Xinjiang Hotan Specialized Chinese Medicine Research Key Laboratory, Hotan 848000, China; 3.Xinjiang Xinwei Pharmaceutical Co., Ltd., Hotan 848000, China

Received:2025-10-31 Accepted:2026-01-12 Published:2026-10-20 Online:2026-10-20
Contact: TIAN Shuge E-mail: tianshuge@xjmu.edu.com

摘要/Abstract

摘要： 本文通过超高效液相色谱-串联静电场轨道阱质谱(UHPLC-Q Exactive HFX)结合网络药理学，分析人工麝香药渣干预冠状动脉粥样硬化的药效物质基础及作用机制。采用色谱与质谱联用技术鉴定人工麝香药渣的成分，结合数据库筛选活性成分并预测其作用靶点。通过疾病靶点数据库获取冠状动脉粥样硬化相关靶点，构建成分-靶点网络，进行基因功能和信号通路富集分析，并运用分子对接验证核心成分与关键靶点的结合能力。结果表明，从人工麝香药渣中鉴定出29个潜在活性成分，对应138个药物与疾病的共同作用靶点，主要涉及晚期糖基化终末产物受体信号通路、脂质与动脉粥样硬化及癌症通路等。分子对接表明核心成分与关键靶点具有较强的结合活性。本研究初步揭示了人工麝香药渣通过多成分、多靶点、多通路方式发挥抗冠状动脉粥样硬化作用的潜在机制，为其后续开发利用提供了科学依据。

关键词: 人工麝香, 药渣, UHPLC-Q Exactive HFX, 网络药理学, 冠状动脉粥样硬化, 作用机制

Abstract: Herein, ultra-high-performance liquid chromatography combined with tandem Q Exactive HF-X mass spectrometry (UHPLC-Q Exactive HFX) and network pharmacology were used to elucidate the pharmacodynamic material basis and mechanism of action of artificial musk residues in the intervention of coronary atherosclerosis. Chromatography-mass spectrometry technology was used to identify the chemical constituents of artificial musk residues. Active constituents were screened using databases, and their potential targets were predicted. Furthermore, coronary atherosclerosis-related targets were obtained from disease target databases. A constituent-target network was constructed, followed by gene function and signaling pathway enrichment analysis. Molecular docking was performed to verify the binding ability between core constituents and key targets. Results revealed that 29 potential active constituents were identified from artificial musk residues, corresponding to 138 common targets shared by the drug and the disease. These targets were mainly associated with the receptor for advanced glycation end products (RAGE)-related signaling pathways, lipid and atherosclerosis pathways, and cancer-related pathways. Moreover, mlecular docking results indicated strong binding activities between core constituents and key targets. This study preliminarily revealed that artificial musk residues may exert anti-coronary atherosclerotic effects through a multiconstituent, multitarget, and multipathway mechanism, providing a scientific basis for their further development and utilization.

Key words: artificial musk, medicinal residues, UHPLC-Q Exactive HFX, network pharmacology, coronary atherosclerosis, mechanism of action

中图分类号:

R541.4

陈聘, 艾尼娃尔·艾克木, 张海燕, 田树革. 基于UHPLC-Q Exactive HFX结合网络药理学分析人工麝香药渣成分及抗动脉粥样硬化作用机制[J]. 山东科学, 0, (): 1-.

CHEN Pin, Ainiwaer Aikemu, ZHENG Haiyan, TIAN Shuge. Analysis of chemical constituents and anti-atherosclerotic mechanism of artificial musk residues based on UHPLC-Q Exactive HFX combined with network pharmacology[J]. Shandong Science, 0, (): 1-.

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基于UHPLC-Q Exactive HFX结合网络药理学分析人工麝香药渣成分及抗动脉粥样硬化作用机制

Analysis of chemical constituents and anti-atherosclerotic mechanism of artificial musk residues based on UHPLC-Q Exactive HFX combined with network pharmacology

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