中草药

基于特征分子网络技术分析远志寡糖酯在大鼠体内的代谢产物

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魏颖, 杨湘芬, 关庚明, 王子欣, 牛振宇, 宋青青

中草药 | 化学成分 2026,57(17): 6701-6714

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中草药 |化学成分 2026 , 57 (17) : 6701 -6714

基于特征分子网络技术分析远志寡糖酯在大鼠体内的代谢产物

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魏颖, 杨湘芬, 关庚明, 王子欣, 牛振宇, 宋青青

作者信息

通讯作者:

宋青青

作者简介:

魏颖: 魏颖，女，副研究员，硕士生导师，主要从事蒙药药效物质研究。E-mail:weimozhuo@163.com

Metabolic profiling of oligosaccharide esters of Polygala tenuifolia in rats based on feature-based molecular networking

WEI Ying, YANG Xiangfen, GUAN Gengming, WANG Zixin, NIU Zhenyu, SONG Qingqing

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doi: 10.7501/j.issn.0253-2670.2026.17.005

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摘要

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目的系统阐明远志Polygala tenuifolia寡糖酯类化合物在大鼠体内的代谢产物，为揭示远志药效物质基础提供依据。方法采用UPLC-QTOF-MS/MS采集ig给药后大鼠血浆样本，结合特征分子网络（feature-based molecular networking，FBMN）技术可视化聚类筛选并鉴定体内代谢物，运用体外酶孵育和化学异构化合成相关对照品进行比对。结果 FBMN技术有效地从质谱数据中聚类了结构相似的葡萄糖醛酸化及磺酸化代谢产物，从大鼠血浆中共鉴定出59个代谢产物，包括14个游离酚酸、21个有机酸的磺酸化产物、17个有机酸的葡萄糖醛酸化产物及7个其他类化合物，未检出任何原型寡糖酯。远志寡糖酯在体内迅速水解生成如芥子酸、阿魏酸、丁香酸等多种酚酸，这些酚酸作为前体，进一步发生广泛的还原、去甲基化、脱羟基等I相和以磺酸化与葡萄糖醛酸化为主的II相代谢反应。结论远志寡糖酯口服后以水解有机酸及其广泛的II相结合产物为主要入血形式，采用UPLC-QTOF-MS/MS结合FBMN可以高效、全面的鉴定远志寡糖酯体内代谢物，为揭示远志的体内药效物质提供了依据，也为中药代谢产物的高效发现提供了有效方法。

关键词

远志 / 寡糖酯 / 特征分子网络 / UPLC-QTOF-MS/MS / 代谢产物 / 代谢途径 / 芥子酸 / 阿魏酸

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Objective To systematically characterize the metabolites of polygala oligosaccharide esters (PROEs) in rats, thereby providing evidence for elucidating the pharmacodynamic material basis of Polygala tenuifolia. Method Plasma samples from rats after oral administration of PROEs were analyzed using UPLC-QTOF-MS/MS. Feature-based molecular networking (FBMN) was employed to visually cluster and screen for potential metabolites. The identities of predicted metabolites were further confirmed by comparison with reference standards prepared via in vitro enzymatic incubation and chemical isomerization synthesis. Results FBMN effectively clustered structurally similar metabolites, such as glucuronidated and sulfated products, from the mass spectrometry data. A total of 59 metabolites were identified in rat plasma, including 14 free phenolic acids, 21 sulfated organic acids, 17 glucuronidated organic acids, and seven other compounds. No intact PROEs were detected. The metabolic pathway analysis revealed that PROEs were rapidly hydrolyzed in vivo to generate various phenolic acids (e.g., sinapic acid, ferulic acid, syringic acid), which subsequently underwent extensive phase I metabolism (reduction, demethylation, dehydroxylation) and predominantly phase II metabolism (sulfation and glucuronidation). Conclusion Following oral administration, PROEs enter the systemic circulation primarily as hydrolyzed organic acids and their extensive phase II conjugates. This study demonstrates that the combination of UPLC-Qtof-MS/MS and FBMN provides an efficient and comprehensive strategy for identifying the in vivo metabolites of PROEs. This approach offers a basis for revealing the active constituents of P. tenuifolia and serves as an effective method for elucidating the metabolic profiles of traditional Chinese medicines.

Key words

Polygala tenuifolia Willd. / oligosaccharide ester / Feature-based molecular networking / UPLC-QTOF-MS/MS / metabolite / metabolic pathway / sinapic acid / ferulic acid

引用本文

魏颖, 杨湘芬, 关庚明, 王子欣, 牛振宇, 宋青青. 基于特征分子网络技术分析远志寡糖酯在大鼠体内的代谢产物. 中草药, 2026 , 57 (17) : 6701 -6714 . DOI: 10.7501/j.issn.0253-2670.2026.17.005

WEI Ying, YANG Xiangfen, GUAN Gengming, WANG Zixin, NIU Zhenyu, SONG Qingqing. Metabolic profiling of oligosaccharide esters of Polygala tenuifolia in rats based on feature-based molecular networking[J]. Chinese Traditional and Herbal Drugs, 2026 , 57 (17) : 6701 -6714 . DOI: 10.7501/j.issn.0253-2670.2026.17.005

基金

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内蒙古医科大学附属医院院级项目—重点实验室开放基金 (2023NYFYSYS007); 内蒙古医科大学致远人才项目善学 (ZY20242136)

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2026年第57卷第17期

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doi: 10.7501/j.issn.0253-2670.2026.17.005

接收时间：2025-12-20
首发时间：2026-10-29

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2种不同金属材料的力学参数

科 Family	属数 Number of genus	种数 Number of species	占总种数比例 Percentage of total species (%)	属 Genus	种数 Number of species	占总种数比例 Percentage of total species (%)
鹅膏菌科Amanitaceae	2	11	5.26	鹅膏菌属 Amanita	10	4.78
小菇科 Mycenaceae	2	12	5.74	丝盖伞属 Inocybe	5	2.39
多孔菌科 Polyporaceae	8	14	6.70	蜡蘑属 Laccaria	5	2.39
红菇科 Russulaceae	3	23	11.00	小皮伞属 Marasmius	6	2.87
				小菇属 Mycena	11	5.26
				光柄菇属 Pluteus	5	2.39
				红菇属 Russula	17	8.13
				栓菌属 Trametes	5	2.39

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