基于“指纹图谱-模式识别-血清移行成分”整合策略筛选清消五味汤质量差异标志物

doi:10.3976/j.issn.1002-4026.2025048

摘要/Abstract

摘要： 通过清消五味汤高效液相指纹图谱，并结合化学模式识别方法，体内外成分鉴定方法，筛选差异成分，为其质量一致性研究及其复方制剂开发提供参考。建立18个批次的清消五味汤指纹图谱并进行相似度评价；采用生物信息学方法对其质量标志物进行筛选分析；采用HPLC-Q-Exactive-MS法对清消五味汤的体外化学成分和体内血清移行成分进行鉴定，并基于“指纹图谱-模式识别-血清移行成分”整合策略筛选清消五味汤质量差异标志物。结果在清消五味汤指纹图谱共确定了28个峰，并筛选出大黄酚等8个质量差异标志物。鉴定出85个清消五味汤体外化学成分，55个血清移行成分，利用韦恩图将指纹图谱筛选的成分与体内和体外鉴定的成分取交集，得到核心质量差异标志物大黄酚。该研究建立了一种分析方法操作简便、重现性良好，能够有效评价不同批次清消五味汤的质量稳定性与批次间一致性。该方法可为该方剂的工艺优化、质量标准制定及后续开发研究提供可靠的数据支持。

关键词: 清消五味汤, 指纹图谱, 模式识别, 血清移行成分, 质量标志物

Abstract: By establishing high-performance liquid chromatography (HPLC) fingerprints of Qingxiao Wuwei Decoction (QXWWD) and integrating chemical pattern recognition with in vivo and in vitro component identification methods, this study aimed to screen differential compounds and provide reference data for consistency evaluation and the development of compound preparations. The fingerprints of 18 batches of QXWWD were established evaluated for similarity. Bioinformatics methods were used to analyze potential quality markers. HPLC–Q–Exactive–MS was used to identify in vitro chemical components and serummigration components of QXWWD. Based on the integrated “fingerprint–pattern recognition–serum-migrant components” strategy, quality-difference markers were screened. A total of 28 peaks were identified in the fingerprints of QXWWD, among which8 quality-difference markers, such as chrysophanol, were selected. In total,85 in vitro chemical components and 55 serummigration components of QXWWD were identified. By finding the intersection of the fingerprint-identified components and those identified in vivo and in vitro using a Venn diagram, we identified chrysophanol as the core quality-difference marker. This study established a simple and reproducible analytical method that can effectively evaluate the quality stability and batch consistency of QXWWD. This method provides reliable data to support process optimization, quality-standard development, and the subsequent development of this prescription.

Key words: Qingxiao Wuwei decoction, fingerprint-pattern recognition, serummigration components, quality difference markers

中图分类号:

R288

施凯桃, 李君, 张谦, 马宇衡. 基于“指纹图谱-模式识别-血清移行成分”整合策略筛选清消五味汤质量差异标志物[J]. 山东科学, 0, (): 1-.

SHI Kaitao, LI Jun, ZHANG Qian, MA Yuheng. Screening quality-difference markers of QingxiaoWuwei Decoction using an integrated “fingerprint–pattern recognition–serum migration components” strategy[J]. Shandong Science, 0, (): 1-.

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