NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2024, Vol. 36 ›› Issue (10): 1787-1799.doi: 10.16333/j.1001-6880.2024.10.015

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Effective components and mechanism of Peganum multisectum in the treatment of Alzheimer′s disease based on UPLC-Q-TOF-MS/MS and network pharmacology

CHENG Ya-min,HUANG Dan-rong,REN Jing-yu,FENG Zi-han,ZHOU Wen-bin,SHEN Gang-yi*   

  1. Key Laboratory of Ethnomedicine,Ministry of Education (Minzu University of China), School of Pharmacy,Minzu University of China,Beijing 100081,China
  • Online:2024-10-28 Published:2024-10-28

Abstract:

This study explored the pharmacodynamic material basis and mechanism of action of Peganum multisectum (Maxim.) Mobr.in treating Alzheimer′s disease (AD) through ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS),network pharmacology,and molecular docking techniques.Based on UPLC-Q-TOF-MS/MS to analyze the main components of P. multisectum; Combined with the MS results,the active components of P. multisectum,corresponding target proteins,and disease targets were screened using databases such as SWISS ADME and GeneCards.Venn diagram analysis was performed to obtain intersected targets,which were then imported into Cytoscape 3.9.1 software and the STRING online analysis platform for protein-protein interaction analysis and construction of a drug-ingredient-target network.The relationship between the expression of core targets and the pathology of β-amyloids (Aβ) and microtubule associated protein (Tau) was analyzed using the differentially expressed module of the AlzDate database.GO and KEGG pathway enrichment analysis were conducted using the DAVID database;Autodock Vina software was utilized to construct molecular docking models between core targets and active components.A total of thirty-four major components were identified from P. multisectum,including ten alkaloids,five flavonoids,five amino acids,five terpenes,two nucleosides,three phenolic acids,and four other compounds.Network pharmacology analysis results showed that major active components such as evodiamine,β-sitosterol,β-stigmastenone,and harmine can regulate a series of biological processes,molecular functions,and signaling pathways related to the pathogenesis of AD by acting on targets,thereby regulating cholinergic system and function,reducing Aβ damage,regulating microcirculation and neuronal cell system and function for the treatment of AD.The results of molecular docking showed that evodiamine,β-sitosterol,β-stigmastenone,and harmine had good affinities to core targets such as MAPK3 and STAT3.This study preliminarily reveals the therapeutic effects and mechanisms of P. multisectum in the treatment of AD,providing a basis for clinical application and drug development.

Key words: Peganum multisectum, Alzheimer′s disease, UPLC-Q-TOF-MS/MS technology, network pharmacology

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