世界中医药2025，Vol.20Issue(13)：2230-2238,9.DOI:10.3969/j.issn.1673-7202.2025.13.002
基于系统中药学平台探讨前胡挥发油对哮喘的治疗作用及机制研究
Therapeutic Effects and Mechanisms of Peucedanum praeruptorum Essential Oil against Asthma Based on the Systematic Traditional Chinese Medicine Platform
摘要
Abstract
Objective:To investigate the main pharmacological effects and mechanisms of Peucedanum praeruptorum volatile oil(PPVO)against asthma using the Systematic Traditional Chinese Medicine Platform(SYSTCM)combined with in vitro experi-ments.Methods:SYSTCM was used to predict the potential pharmacological activities of PPVO.A human bronchial epithelial cell(16-HBE)inflammation injury model was established for experimental validation.Reverse pharmacophore screening was conducted to identify potential anti-asthmatic targets of PPVO,followed by protein-protein interaction(PPI)network analysis to screen for key targets.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed to elu-cidate the underlying mechanisms of PPVO against asthma.Molecular docking and molecular dynamics simulations were used to validate target reliability and identify potential key active compounds.Results:SYSTCM predicted that 42 out of 59 PPVO compo-nents possess anti-inflammatory effects and are likely critical for its anti-asthmatic activity.The 16-HBE cell inflammation injury model demonstrated that low,medium,and high doses of PPVO all exhibited anti-inflammatory effects,supporting the platform's predictions.Reverse pharmacophore screening identified 55 potential targets,and PPI network analysis highlighted five key targets,including glycogen synthase kinase 3 beta(GSK3B),Janus kinase 2(JAK2),and peroxisome proliferator-activated receptor gamma(PPARG).GO and KEGG enrichment indicated that PPVO primarily acts through the phosphoinositide 3-kinase/protein kinase B(PI3K-AKT),PPARG,and epidermal growth factor receptor(EGFR)tyrosine kinase inhibitor signaling pathways.Molecular doc-king and dynamics simulations further validated the reliability of the predicted targets and identified methyl palmitate,oleic acid,neophytadiene,and n-undecane as potential key active constituents.Conclusion:PPVO exerts anti-asthmatic effects via anti-inflam-matory mechanisms,potentially by modulating key targets such as GSK3B,JAK2,and PPARG through PI3K-AKT,PPARG,and EG-FR-related signaling pathways.Key active components may include methyl palmitate,oleic acid,and related compounds.关键词
系统中药学/前胡/挥发油/哮喘/抗炎/分子动力学模拟/人支气管上皮细胞/作用机制Key words
Systematic Traditional Chinese Medicine/Peucedanum praeruptorum/Essential oil/Asthma/Anti-inflammatory/Mo-lecular dynamics simulation/16-HBE/Mechanism分类
医药卫生引用本文复制引用
王泽文,张燕玲,李贝妍,乔连生,毕诗杰,徐真真,刘超群,刘艳霞,田佳叶,余彬..基于系统中药学平台探讨前胡挥发油对哮喘的治疗作用及机制研究[J].世界中医药,2025,20(13):2230-2238,9.基金项目
国家自然科学基金面上项目(82073996) （82073996）
北京中医药大学揭榜挂帅项目(2023-JYB-900202-054) （2023-JYB-900202-054）
