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

Abstract

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

CLC Number:

R541.4

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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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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