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

Abstract

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 which 8 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

CLC Number:

R288

SHI Kaitao, LI Jun, ZHANG Qian, MA Yuheng. Screening quality-difference markers of Qingxiao Wuwei Decoction using an integrated “fingerprint-pattern recognition-serum migration components” strategy[J].Shandong Science, 2026, 39(1): 11-20.

Figures/Tables 9

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References 26

[1]	LÁZÁR V, SNITSER O, BARKAN D, et al. Antibiotic combinations reduce Staphylococcus aureusclearance[J]. Nature, 2022, 610(7932): 540-546. DOI: 10.1038/s41586-022-05260-5.
[2]	LEE A S, DE LENCASTRE H, GARAU J, et al. Methicillin-resistant Staphylococcus aureus[J]. Nature Reviews Disease Primers, 2018, 4: 18033. DOI: 10.1038/nrdp.2018.33.
[3]	LI J M, FENG S S, LIU X, et al. Effects of traditional Chinese medicine and its active ingredients on drug-resistant bacteria[J]. Frontiers in Pharmacology, 2022, 13: 837907. DOI: 10.3389/fphar.2022.837907.
[4]	ZHAO L, LIU H, WANG Y C, et al. Multimodal identification by transcriptomics and multiscale bioassays of active components in xuanfeibaidu formula to suppress macrophage-mediated immune response[J]. Engineering, 2023, 20: 63-76. DOI: 10.1016/j.eng.2021.09.007.
[5]	ZHANG Q, LI X, LI J, et al. Mechanism of anti-inflammatory and antibacterial effects of QingXiaoWuWei decoction based on network pharmacology, molecular docking and in vitro experiments[J]. Frontiers in Pharmacology, 2021, 12: 678685. DOI: 10.3389/fphar.2021.678685.
[6]	LI J, ZHANG Q, LI X, et al. QingXiaoWuWei decoction alleviates methicillin-resistant Staphylococcus aureus-induced pneumonia in mice by regulating metabolic remodeling and macrophage gene expression network via the microbiota-short-chain fatty acids axis[J]. Microbiology Spectrum, 2023, 11(6): e0034423. DOI: 10.1128/spectrum.00344-23.
[7]	鄢海燕, 邹纯才. 《中国药典》(2010年版-2020年版)中药指纹(特征)图谱应用进展与展望[J]. 南方医科大学学报, 2022, 42(1):150-155. DOI: 10.122/j.issn.1673-4254.2022.01.19.
[8]	吴春兴, 杨杨, 孟梅, 等. 近十年中药指纹图谱领域的研究现状及趋势分析[J]. 中央民族大学学报(自然科学版), 2024, 33(4): 63-73. DOI: 10.3969/j.issn.1005-8036.2024.04.009.
[9]	ZHANG R T, QING W W, YANG L, et al. Fingerprint combining with quantitative analysis of multi-components by single marker for quality control of Chenxiang Huaqi tablets[J]. Phytochemical Analysis, 2022, 33(3): 335-343. DOI: 10.1002/pca.3090.
[10]	CAO X X, YOU G J, LI H H, et al. Comparative investigation for rotten xylem (kuqin) and strip types (tiaoqin) of Scutellaria baicalensis Georgi based on fingerprinting and chemical pattern recognition[J]. Molecules, 2019, 24(13): 2431. DOI: 10.3390/molecules24132431.
[11]	JIANG Y Y, WU H F, HO P C L, et al. GC-MS fingerprinting combined with chemical pattern-recognition analysis reveals novel chemical markers of the medicinal seahorse[J]. Molecules, 2023, 28(23): 7824. DOI: 10.3390/molecules28237824.
[12]	LV X Z, FENG S, ZHANG J C, et al. Application of HPLC fingerprint combined with chemical pattern recognition and multi-component determination in quality evaluation of Echinacea purpurea (L.) moench[J]. Molecules, 2022, 27(19): 6463. DOI: 10.3390/molecules27196463.
[13]	SONG B H, WANG W, LIU R P, et al. Geographic differentiation of essential oil from rhizome of cultivated Atractylodeslancea by using GC-MS and chemical pattern recognition analysis[J]. Molecules, 2023, 28(5): 2216. DOI: 10.3390/molecules28052216.
[14]	吕振涛, 鄢永欢, 杨菁, 等. 基于指纹图谱结合化学模式识别对黔产有柄石韦的质量评价[J]. 时珍国医国药, 2025, 36(7): 1274-1279. DOI: 10.70976/j.1008-0805.SZGYGY-2025-0712.
[15]	海婧敏, 陶琦, 胡志刚, 等. 基于指纹图谱结合化学模式识别和网络药理学的天麻质量标志物(Q-Marker)预测分析[J]. 世界科学技术-中医药现代化, 2025, 27(1): 1-13. DOI: 10.11842/wst.20240718001.
[16]	李君, 周枫叶, 张曼玲, 等. 基于指纹图谱和化学模式识别分析的蒙药森登-4质量评价研究[J]. 中国医院药学杂志, 2024, 44(21): 2447-2453. DOI: 10.13286/j.1001-5213.2024.21.03.
[17]	李君, 张谦, 王跃武, 等. 基于HPLC-MS/MS和化学模式识别分析的蒙药那如-3味丸质量评价[J]. 中国医院药学杂志, 2024, 44(11): 1277-1284. DOI: 10.13286/j.1001-5213.2024.11.07.
[18]	张谦, 李君, 王跃武, 等. HPLC-MS/MS结合化学模式识别的蒙药地格达-8质量研究[J]. 中药材, 2024, 47(6): 1461-1466. DOI: 10.13863/j.issn1001-4454.2024.06.021.
[19]	崔小敏, 董明芝, 张红, 等. 基于UHPLC-Q-exactiveorbitrap MS和化学计量学分析的芪龙壮儿口服液质量评价研究[J]. 药学学报. 2023; 58(6):1655-1662.
[20]	董晓龙, 沈佳捷, 朱佳钰, 等. 苦参的指纹图谱建立及差异性成分含量测定[J]. 中国药房, 2023, 34(3): 298-302. DOI: 10.6039/j.issn.1001-0408.2023.03.09.
[21]	于晓涛, 王博, 王佳, 等. 芪桂苓合剂质量控制方法研究[J]. 中国药房, 2023, 34(10): 1223-1227. DOI: 10.6039/j.issn.1001-0408.2023.10.13.
[22]	梁威, 张忠伟, 梁继业. 2020年版《中华人民共和国药典》(一部)全草类中药来源信息探究[J]. 亚太传统医药, 2024, 20(4): 169-173. DOI: 10.11954/ytctyy.202404038.
[23]	傅敏, 张志, 李听弦, 等. 大黄煨制前后HPLC指纹图谱的比较研究[J]. 时珍国医国药, 2020, 31(6): 1361-1364. DOI: 10.3969/j.issn.1008-0805.2020.06.023.
[24]	张志煨. 大黄炮制工艺、质量标准及对胃肠功能的影响研究[D]. 武汉: 湖北中医药大学, 2019.
[25]	李丹丹, 张慧, 李思雨, 等. 基于HPLC指纹图谱及UPLC-Q-TOF-MS法的3种不同来源大黄差异成分研究[J]. 中国药房, 2019, 30(23): 3240-3245. DOI: 10.6039/j.issn.1001-0408.2019.23.13.
[26]	孙冬梅, 罗思妮, 魏梅, 等. 不同基原大黄指纹图谱、多成分定量结合多元统计分析的质量评价研究[J]. 南京中医药大学学报, 2021, 37(1): 83-90. DOI: 10.14148/j.issn.1672-0482.2021.0083.

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饮片名称	基原及药用部位	产地	批号
苦参	豆科植物苦参Sophoraflavescens Aito. 的干燥根	内蒙古	23122501
		辽宁	230801
		河北	23111702
艾叶	菊科植物艾Artemisia argyi H.Lév. &Vaniot 的干燥叶	湖北	230901
		四川	220607
		河南	2311002
大黄	蓼科植物掌叶大黄Rheum palmatum L. 的干燥根和根茎	四川	C008221101
		四川	231202
		甘肃	231112
蛇床子	伞形科植物Cnidiummonnieri (L.) Cusson 的干燥成熟果实	云南	23082401
		河北	23062002
		安徽	230701
冰片	樟科植物龙脑樟枝叶Cinnamomumcamphora(L.) J. Presl 经水蒸气蒸馏并重结晶	江西	320050001
		云南	200420
		贵州	210201

样品编号	相似度	样品编号	相似度	样品编号	相似度
S1	0.994	S7	0.946	S13	0.991
S2	0.950	S8	0.944	S14	0.993
S3	0.992	S9	0.947	S15	0.931
S4	0.989	S10	0.992	S16	0.983
S5	0.978	S11	0.986	S17	0.990
S6	0.995	S12	0.994	S18	0.993

Screening quality-difference markers of Qingxiao Wuwei Decoction using an integrated “fingerprint-pattern recognition-serum migration components” strategy

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