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Advances in biological mass spectrometry for target identification and mode of action characterization of active constituents in Chinese medicine
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Xue-yan HU1, Xia-yan CHU1, Dong-zhu TU1, Hai-rong ZENG1, Tian TIAN1, Xiao-yu ZHUANG2, *, Guang-bo GE1, 3, *
Acta Pharmaceutica Sinica | 2026, 61(1) : 58 - 74
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Acta Pharmaceutica Sinica | 2026, 61(1): 58-74
• Special Reports: Research Progress and Prospects on the Chemical Biology of Traditional Chinese Medicine •
Advances in biological mass spectrometry for target identification and mode of action characterization of active constituents in Chinese medicine
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Xue-yan HU1, Xia-yan CHU1, Dong-zhu TU1, Hai-rong ZENG1, Tian TIAN1, Xiao-yu ZHUANG2, *, Guang-bo GE1, 3, *
Affiliations
  • 1Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China
  • 2Experiment Center for Science and Technology, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China
  • 3State Key Laboratory of Discovery and Utilization of Functional Components in Traditional Chinese Medicine, Shanghai 201203, China
Published: 2026-01-12 doi: 10.16438/j.0513-4870.2025-0076
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The clinical efficacy of Chinese medicines (CMs) fundamentally relies on their material basis, with active constituents serving not only as the cornerstone of CM's pharmacological activity, but also as a valuable resource for innovative drug research and development. However, the precise clinical application and internationalization of CMs have long been hindered by limited understanding of the molecular targets, modes of action, and pharmacological mechanisms underlying their functional components. Novel biochemical and biophysical approaches, in combination with recent advancements in mass spectrometry (MS)-based techniques, instrumentation, and data analysis pipelines, have significantly facilitated the identification of molecular targets and elucidation of pharmacological mechanisms of functional components in CMs. This review summarizes recent advances in the target identification of functional components in CMs and the characterization of small molecule-target protein interactions. We discuss the principles and technical aspects of small molecule-labeled and label-free target deconvoluted strategies leveraging biological mass spectrometry, providing a comparative analysis of their application scopes, strengths and limitations. This review article also addressed the recent progress made by the scholars in characterizing the interaction modes between functional components of CMs and target proteins, using biomass spectrometry and other cutting-edge technologies. The relevant research strategies, methodologies, and application cases are expected to provide a series of solutions and research models for the discovery of targets and in-depth elucidation of pharmacological mechanisms of CMs pharmacodynamic substances.

biological mass spectrometry  /  functional components of Chinese medicine  /  target identification  /  characterization of mode of action  /  proteomics
胡雪艳, 褚夏燕, 涂东珠, 曾海荣, 田甜, 庄小禹, 葛广波. 生物质谱技术在中药功效物质靶标发现和作用模式表征中的应用进展. 药学学报, 2026 , 61 (1) : 58 -74 . DOI: 10.16438/j.0513-4870.2025-0076
Xue-yan HU, Xia-yan CHU, Dong-zhu TU, Hai-rong ZENG, Tian TIAN, Xiao-yu ZHUANG, Guang-bo GE. Advances in biological mass spectrometry for target identification and mode of action characterization of active constituents in Chinese medicine[J]. Acta Pharmaceutica Sinica, 2026 , 61 (1) : 58 -74 . DOI: 10.16438/j.0513-4870.2025-0076
Year 2026 volume 61 Issue 1
212
94
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Article Info
doi: 10.16438/j.0513-4870.2025-0076
  • Receive Date:2025-01-21
  • Online Date:2026-09-21
  • Published:2026-01-12
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History
  • Received:2025-01-21
  • Revised:2025-05-09
Affiliations
    1Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China
    2Experiment Center for Science and Technology, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China
    3State Key Laboratory of Discovery and Utilization of Functional Components in Traditional Chinese Medicine, Shanghai 201203, China
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表12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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