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从中医证候、中药药效及毒性机制三方面探讨中医药应用核磁共振波谱研究代谢组学的现状.研究发现,肝郁证可能与肝脏的能量代谢障碍有关;脾虚证可能与机体的氨基酸代谢异常有关;肾虚证可能与整体的支链氨基酸代谢分解代谢过度有关.中药雷公藤、黄芩、复方半夏厚朴汤、逍遥散、四逆汤等在治疗不同疾病时分别通过调节氨基酸代谢、能量代谢等多条代谢途径发挥药效作用.多种分析技术的联合使用,可以起到相互补充的作用,为发现更多的代谢物及代谢途径,更加全面地揭示中医证候本质、中药药效及毒性机制提供新的思路与方向.“,”This paper discussed the status of metabonomics of traditional Chinese medicine (TCM) based on nuclear magnetic resonance spectrum (NMRS),including TCM syndrome,pharmacodynamics and toxicity mechanism of Chinese materia medica.It finds that liver depression syndrome may be related to energy metabolism disorders in the liver,spleen deficiency syndrome may be related to abnormal metabolism of amino acid in organism,and kidney deficiency syndrome may be related to hypercatabolism of branched chain amino acids.Chinese materia medica,such as Tripterygium Wilfordii Hook.f.,Radix Scutellariae,Compound Banxia Houpu Decoction,Xiaoyao Powder,Sini Decoction and so on,play the therapeutic role by regulating amino acid metabolism,energy metabolism and other metabolic pathways in the treatment of different diseases,respectively.The combined application of multiple analytical techniques can complement each other,which provides new ideas and direction for discovery of more metabolites and metabolic pathways and more comprehensive reveal of the essence of TCM syndrome and phannacodynamics and toxicity mechanism of Chinese materia medica.