Liao Guang-Qin, Tang Hong-Mei, Yu Yuan-Di, Fu Li-Zhi, Li Shuang-Jiao, Zhu Mai-Xun
Chongqing Academy of Animal Sciences, Chongqing, 402460, China.
National Center of Technology Innovation for Pigs, Chongqing, 402460, China.
Chin Med. 2025 May 12;20(1):62. doi: 10.1186/s13020-025-01112-2.
Mass spectrometry (MS)-based metabolomics has emerged as a transformative tool to unraveling components and their mechanisms in traditional Chinese medicine (TCM). The integration of advanced analytical platforms, such as LC-MS and GC-MS, coupled with metabolomics, has propelled the qualitative and quantitative characterization of TCM's complex components. This review comprehensively examines the applications of MS-based metabolomics in elucidating TCM efficacy, spanning chemical composition analysis, molecular target identification, mechanism-of-action studies, and syndrome differentiation. Recent innovations in functional metabolomics, spatial metabolomics, single-cell metabolomics, and metabolic flux analysis have further expanded TCM research horizons. Artificial intelligence (AI) and bioinformatics integration offer promising avenues for overcoming analytical bottlenecks, enhancing database standardization, and driving interdisciplinary breakthroughs. However, challenges remain, including the need for improved data processing standardization, database expansion, and understanding of metabolite-gene-protein interactions. By addressing these gaps, metabolomics can bridge traditional practices and modern biomedical research, fostering global acceptance of TCM. This review highlights the synergy of advanced MS techniques, computational tools, and TCM's holistic philosophy, presenting a forward-looking perspective on its clinical translation and internationalization.
基于质谱（MS）的代谢组学已成为一种变革性工具，用于揭示中药的成分及其作用机制。先进分析平台（如液相色谱 - 质谱联用仪和气相色谱 - 质谱联用仪）与代谢组学的结合，推动了对中药复杂成分的定性和定量表征。本综述全面考察了基于质谱的代谢组学在阐明中药功效方面的应用，涵盖化学成分分析、分子靶点鉴定、作用机制研究以及证候辨别。功能代谢组学、空间代谢组学、单细胞代谢组学和代谢通量分析等方面的最新创新进一步拓展了中药研究视野。人工智能（AI）与生物信息学的整合为克服分析瓶颈、加强数据库标准化以及推动跨学科突破提供了有前景的途径。然而，挑战依然存在，包括需要改进数据处理标准化、扩展数据库以及理解代谢物 - 基因 - 蛋白质相互作用。通过弥补这些差距，代谢组学可以弥合传统实践与现代生物医学研究之间的鸿沟，促进中药在全球的接受度。本综述强调了先进质谱技术、计算工具与中药整体理念的协同作用，对其临床转化和国际化提出了前瞻性观点。
