目的 通过超高效液相色谱-四级杆-飞行时间串联质谱（UHPLC-Q-TOF/MS）和气相色谱-质谱（GC-MS）鉴定陈皮中的化学成分，结合网络药理学分析其治疗“痰、咳、喘”的药效物质基础及作用机制。方法 建立UHPLC-Q-TOF/MS和GC-MS结合诊断特征滤过和标准谱库比较的分析方法，表征陈皮的化学成分。利用Swiss Target Prediction数据库获取陈皮主要成分的作用靶点信息；通过GeneCards数据库获取“痰、咳、喘”相关的靶点；将陈皮主要成分对应靶点与“痰、咳、喘”相关靶点取交集，借助String平台和Cytoscape 3.10.0软件绘制交集靶点蛋白质-蛋白质相互作用（PPI）网络；利用DAVID数据库对核心靶点进行基因本体（GO）功能与京都基因与基因组百科全书（KEGG）通路富集分析，通过微生信云平台对富集结果可视化。结果 共鉴定了108个非挥发性成分和28个挥发性成分；陈皮的主要活性成分可能为乙酸香茅酯、乙酸香叶酯、（-）-紫苏醛、（1R，5S）-香芹醇、癸醛、（+）-α-松油醇、（-）-4-萜品醇、芳樟醇、壬醛、桔皮素、甜橙黄酮、异橙黄酮、香叶木素、枸橘苷、日当药黄素；陈皮可能通过热休克蛋白（HSP90AA1）、表皮生长因子受体（EGFR）、SCR蛋白激酶（SRC）、磷酸化蛋白激酶（AKT1）、磷酸肌醇激酶（PIK3CA）、信号传导转录激活因子（STAT1）等关键靶点，协同调控磷脂酰肌醇-3-激酶-蛋白激酶B （PI3K-Akt）、Janus激酶-信号传导和转录激活蛋白（JAK-STAT）等信号通路发挥止咳平喘祛痰的治疗作用。结论 分析获得了陈皮发挥止咳平喘祛痰功效可能的药效物质基础及作用机制，可为其质量标志物和质量标准的提升研究奠定基础。

Objective To identify the chemical constituents in Citri Reticulatae Pericarpium by ultra performance liquid chromatography-quadrupole-time of flight tandem mass spectrometry (UHPLC-Q-TOF/MS) and gas chromatography-mass spectrometry (GC-MS), and to analyze the pharmacological basis of its efficacy in the treatment of phlegm, cough and asthma and its mechanism of action by combining with network pharmacology. Methods A UHPLC-Q-TOF/MS and GC-MS analytical method was established to characterize the chemical constituents of Citri Reticulatae Pericarpium by combining diagnostic feature filtering and comparison of standard spectral libraries. The Swiss Target Prediction database was used to obtain the target information of the main components of Citri Reticulatae Pericarpium; the GeneCards database was used to obtain the targets related to "phlegm, cough and asthma"; The intersection of the main components of Citri Reticulatae Pericarpium and the targets related to "phlegm, cough and asthma" was taken, and the protein-protein interaction (PPI) network of the intersected targets was drawn with the help of the String platform and the Cytoscape 3.10.0 software; the core targets were enriched by the Gene Ontology (GO) function and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway using the DAVID database; the results of the enrichment were visualized by the Microbiology Cloud platform. Results A total of 108 nonvolatile and 28 volatile components were identified; the main active components of Citri Reticulatae Pericarpium may be geranyl acetate, citronellyl acetate, (-)-perillaldehyde, (1R,5S)-carveol, decanal, (+ ) -alpha-terpineol, (-) -terpinen-4-ol, nonanal, linalool, tangeretin, sinensetin, isosinensetin, diosmetin, poncirin and swertiajaponin; Citri Reticulatae Pericarpium may exert the therapeutic effects of cough suppressant, asthma and expectorant through the synergistic regulation of PI3K-Akt, JAK-STAT signaling pathways via the key targets of HSP90AA1, EGFR, SRC, AKT1, PIK3CA, STAT1 and so on. Conclusion The possible pharmacological basis and mechanism of action of Citri Reticulatae Pericarpium in relieving cough, asthma and phlegm were analyzed, which can lay the foundation for the improvement of its quality markers and quality standards.

R284,R285.5

广西青年科学基金资助项目（2023GXNSFBA026276）;广西科技基地与人才专项（桂科AD21238032）;国家重大新药创制科技重大专项资助项目（2019ZX09201004）;国家自然科学基金资助项目（82160771）;广西中医药大学博士科研启动项目（2020BS015）;广西中医药大学青年科学基金资助项目（2021QN006）;广西中医药大学第三批“岐黄工程”高层次人才团队培育项目（202406）