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药学学报  2015 

基于1hnmr代谢组学和偏最小二乘法的小柴胡汤证判别研究

, PP. 1032-1037

Keywords: 小柴胡汤证,pls分析,代谢组学,1hnmr

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Abstract:

本文以临床观察选取的小柴胡汤证典型病例为研究对象,采用1hnmr代谢组学技术对小柴胡汤证患者与健康受试者尿液进行对比分析,从尿液核磁图谱中指认出内源性代谢物34种。正交偏最小二乘法-判别分析(opls-da)显示,小柴胡汤证患者与健康受试者尿液中的代谢物可明显区分,说明小柴胡汤证患者体内代谢物轮廓发生了明显变化。结合s-plot散点图和vip值找到15种差异代谢物,其中患者尿液中浓度升高的代谢物有亮氨酸、甲酸、甘氨酸、马尿酸、尿嘧啶,降低的有苏氨酸、2-羟基异丁酸、乙酰胺、2-氧化戊二酸、柠檬酸、二甲胺、丙二酸、甜菜碱、氧化三甲胺、苯乙酰甘氨酸、尿苷。这些代谢物涉及肠道微生物平衡、能量代谢和氨基酸代谢通路,与小柴胡汤证主证具有一定的相关性。应用偏最小二乘法建立小柴胡汤证的数学预测模型,该模型可准确判别小柴胡汤证患者。本研究为小柴胡汤证的客观诊断和合理用药奠定了实验基础。

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