中国中药杂志

2019, v.44(03) 574-581

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动态中药成分群的谱动学数学模型创立及对补阳还五汤验证研究
Dynamic chromatopharmacokinetics model for components in Chinese medicine and validation in Buyang Huanwu Decoction

肖美凤;段晓鹏;邓凯文;杨岩涛;刘文龙;贺福元;
XIAO Mei-feng;DUAN Xiao-peng;DENG Kai-wen;YANG Yan-tao;LIU Wen-long;HE Fu-yuan;College of Pharmacy, Hunan University of Chinese Medicine;Hunan Provincial Key Laboratory of Drugability and Preparation Modification of Traditional Chinese Medicine;Supramolecular Mechanism and Mathematic-Physics Chracterization for Chinese Materia Medica, Hunan University of Chinese Medicine;The First Affinity Hospital, Hunan University of Chinese Medicine;

摘要(Abstract):

中药多来源于动植物,具有遗传多态性,成分具有动态性,反映到指纹图谱中以特征峰和指纹峰出现,其谱动学处于动态变化之中,不宜用确定成分的谱动学方法进行研究。该文在前期谱动学研究的基础上,运用总量统计矩原理,叠加减药物血样和空白血样指纹图谱的总量统计矩参数,创建动态中药多成分的谱动学数学模型及参数体系,并以补阳还五汤为模型进行验证,为中药谱动学研究提供新方法。实验采用HPLC测得补阳还五汤空白血样及各时间点血样指纹图谱总量统计矩参数,利用总量统计矩加合计算含药血样的整体总量统计矩参数及空白血样的总量统计矩参数,两者相减可得纯药物的初次总量统计矩参数,运用代谢平衡常数迭代计算,至吸收和代谢平衡常数达稳态,即得补阳还五汤在大鼠体内代谢的谱动学参数VUC_T 1.262×10~8 mAu·s,MRT_T 37.48 h,VRT_T 9.016×10~2 h~2,CL_T 25.79 mL·h~(-1)·kg~(-1),V_s 1.586×10~2 mL·kg~(-1),t_(T,0.5) 6.15 h,表明经0~96.33 h后整方95%的成分被排除体外。实验证明所建的中药谱动学数学模型及参数体系能表征补阳还五汤的量-时作用关系,能用于中药成分群的体内代谢动力学研究。
The Chinese medicine is mostly derived from plants or animals, highly polymorphic, with dynamic components which are reflected by the characteristic peaks and fingerprint peaks in chromatographic fingerprints. The chromatopharmacokinetics method for determined components is not applicable due to dynamic changes of chromatopharmacokinetics. Based on the preliminary study, dynamic pharmacokinetics mathematical model for multiple components in Chinese medicine was set up and verified by Buyang Huanwu Decoction as the model drug, applying the principle of the total quantum statistical moment(TQSM), superimposing or subtracting the relevant statistical parameters in blood samples and blank samples. This provided a new method for the chromatopharmacokinetic study of Chinese medicine. HPLC was used to determine the TQSM parameters in blood and blank sample fingerprints of Buyang Huanwu Decoction at each point, and the overall TQSM parameters of drug-containing blood sample and blank samples were obtained with addition calculation of TQSM; while the initial TQSM of the pure drug can be obtained with subtraction calculation. The metabolic and absorption equilibrium constants were calculated iteratively to a steady state using the estimated metabolic equilibrium constants, then the metabolic chromatopharmacokinetic parameters in rats were obtained: VUC_T 1.262×10~8 mAu·s, MRT_T 37.48 h, VRT_T 9.016×10~2 h~2, CL_T 25.79 mL·h~(-1)·kg~(-1), Vs 1.586×10~2 mL·kg~(-1), t_(T,0.5) 6.15 h, respectively. This suggested that 95% of the compounds in whole recipe were metabolized and secreted from the body after 0-96.33 h. The experiment verified that the established mathematical model and the total quantum moment statistics parameters can represent the dose-time relationship of Buyang Huanwu Decoction, which can be used to study on in vivo metabolism dynamics for Chinese medicine.

关键词(KeyWords): 动态中药;谱动学;数学模型;补阳还五汤;总量统计矩;指纹图谱;超分子
dynamic Chinese medicine;chromatopharmacokinetic;mathematics model;Buyang Huanwu Decoction;total quantum statistical moment;chromatographic fingerprint;supermolecule

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金项目(81073142,81573691,81703824);; 湖南省教育厅一般项目(17C1209)

作者(Author): 肖美凤;段晓鹏;邓凯文;杨岩涛;刘文龙;贺福元;
XIAO Mei-feng;DUAN Xiao-peng;DENG Kai-wen;YANG Yan-tao;LIU Wen-long;HE Fu-yuan;College of Pharmacy, Hunan University of Chinese Medicine;Hunan Provincial Key Laboratory of Drugability and Preparation Modification of Traditional Chinese Medicine;Supramolecular Mechanism and Mathematic-Physics Chracterization for Chinese Materia Medica, Hunan University of Chinese Medicine;The First Affinity Hospital, Hunan University of Chinese Medicine;

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DOI: 10.19540/j.cnki.cjcmm.20180925.005

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