基于化学模式识别的桂枝甘草汤质量差异标志物筛选及多指标定量测定  

Screening of quality difference markers based on chemical pattern recognition and multi-index quantitative determination of Guizhi Gancao Decoction

作　　者：魏姗姗 孙媛方 高雨桐 于新颖 李思阅 韩飞[2] 尹然 WEI Shanshan;SUN Yuanfang;GAO Yutong;YU Xinying;LI Siyue;HAN Fei;YIN Ran(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,China;School of Pharmacy,Shenyang Pharmaceutical University,Shenyang 110016,China;Key Laboratory of Ministry of Education for TCM Viscera-State Theory and Applications,Liaoning University of Traditional Chinese Medicine,Shenyang 110847,China)

机构地区：[1]辽宁中医药大学药学院,辽宁大连116600 [2]沈阳药科大学药学院,辽宁沈阳110016 [3]辽宁中医药大学中医脏象理论及应用教育部重点实验室,辽宁沈阳110847

出　　处：《沈阳药科大学学报》2025年第3期243-252,共10页Journal of Shenyang Pharmaceutical University

基　　金：辽宁省自然科学基金项目(2021-MS-246)。

摘　　要：目的建立桂枝甘草汤的HPLC指纹图谱,结合化学模式识别方法筛选质量差异标志物,并对桂枝甘草汤多指标成分进行同时定量分析。方法采用Waters XSelect HSS T3色谱柱(150 mm×2.1 mm,2.5μm),流动相为乙腈-体积分数1%醋酸水溶液,梯度洗脱,建立14批桂枝甘草汤HPLC指纹图谱,运用聚类分析、主成分分析和正交偏最小二乘判别分析考察样品间差异性,辨识质量差异标志物,同时测定桂枝甘草汤中7种指标成分的含量。结果14批桂枝甘草汤指纹图谱标定了36个共有峰,相似度在0.971~0.999之间,指认了7个色谱峰,分别为原儿茶酸、香豆素、桂皮醇、桂皮酸、桂皮醛、甘草酸和甘草皂苷H2;化学模式识别分析将桂枝甘草汤样品分成2类,筛选出色谱峰34、21、16、19、10、13和36为质量差异标志物;以桂枝甘草汤中原儿茶酸、香豆素、桂皮醇、桂皮酸、桂皮醛、甘草酸和甘草皂苷H2为指标进行同时含量测定,各成分在测定的质量浓度范围内线性关系良好,方法学考察符合要求。结论建立的基于化学模式识别的质量差异标志物筛选及多指标成分含量测定方法,可为桂枝甘草汤及其相关制剂的质量控制研究提供参考。Objective To establish HPLC fingerprint of Guizhi Gancao Decoction,combined with chemical pattern recognition method to screen the quality difference markers,and quantitatively analyze the multi-index components of Guizhi Gancao Decoction simultaneously.Methods A Waters XSelect HSS T3 column(150 mm×2.1 mm,2.5μm)was used for gradient elution with acetonitrile-1%acetic acid aqueous solution as the mobile phase.HPLC fingerprints of 14 batches of Guizhi Gancao Decoction were established.Cluster analysis,principal component analysis and orthogonal partial least squares discriminant analysis were used to investigate the differences among samples and identify the quality difference markers.At the same time,the contents of 7 index components in Guizhi Gancao Decoction were determined.Results There were 36 common peaks in 14 batches of Guizhi Gancao Decoction with similarity between 0.971 and 0.999,and 7 peaks of protocatechuic acid,coumarin,cinnamyl alcohol,cinnamic acid,cinnamaldehyde,glycyrrhizic acid and licoricesaponin H2 were identified.By chemical pattern recognition analysis,the samples of Guizhi Gancao Decoction were divided into two categories,and the chromatographic peaks 34,21,16,19,10,13 and 36 were screened out as the quality difference markers.The contents of protocatechuic acid,coumarin,cinnamyl alcohol,cinnamic acid,cinnamaldehyde,glycyrrhizic acid and licoricesaponin H2 in Guizhi Gancao Decoction were determined simultaneously with a good linear relationship of each component within the mass concentration range,and the methodological investigation met the requirements.Conclusion The established quality difference markers screening based on chemical pattern recognition and multi-index components content determination methods can provide reference for the quality control research of Guizhi Gancao Decoction and its related preparations.

关 键 词：桂枝甘草汤 指纹图谱 化学模式识别 含量测定 质量差异标志物 

分 类 号：R917[医药卫生—药物分析学]