化学计量学在中药复方整体研究中的应用研究进展  

Advances on Chemometrics Applied to Evaluate Compound Prescriptions of Traditional Chinese Medicines

作　　者：王旋[1] 郝海平[1] 王广基[1] 

机构地区：[1]中国药科大学药物代谢动力学重点实验室,南京210009

出　　处：《中国天然药物》2009年第3期234-240,共7页

基　　金：国家自然科学基金重点项目(No.30630076);"十一五"支撑计划(No.2006BAI08B04-05)~~

摘　　要：中药物质基础的阐明和科学质量控制方法的建立是中药现代化和国际化的关键。由于中药成分复杂,既是单味药,也是一个复杂的多组分体系。随着近年来由单一组分逐渐走向整体化的研究思想的深入,将数学思想等其他边缘学科的方法整合于中药复方研究逐渐成为中外学者们所考虑的方向。化学计量学作为一门以实验为基础的边缘学科,可将多变量的分析方法引入化学研究,这与中药思想有相通之处。在中药物质基础研究中应可发挥重要作用。本文就中药复方整体研究中,有效性成分的提取分离,质量控制指纹图谱的建立与解析,代谢组学以及药理药效与化学结构的关系等各个领域与化学计量学结合研究的发展状况进行了简单的梳理总结,并就所存在问题以及发展前景做出合理分析。The elucidation of bioactive components and establishment of scientific quality control methods are the key points to the modernization and internationalization of traditional Chinese medicines （TCMs）. TCMs are very complicated compound-systems even as a single-herb-formula. Recently, with the trend from single-component research pattern becoming to global research pattern, the introduction of other knowledge into TCM global research system are taken into consideration. Chemornetrics, as a cross-disciplinary subject based on experimental results, combines multivariate analysis with chemical research and plays an important role in TCM research field. This paper describes and summarizes the conjoint of chemomet- rics with several fields of TCM research： distillation of bioactive components, constructing and resolving chromatographic fingerprints used for quality control, metabonomics, structure-activity relationship, and so on. The established problems and prospects are also described.

关 键 词：化学计量学 指纹图谱 模式识别 代谢组学 定量组效关系 

分 类 号：R289[医药卫生—方剂学] TQ460.72[医药卫生—中药学]