目的研究山楂叶HPLC指纹图谱与其抗超氧阴离子(O^2-)活性之间的相互关系。方法以山楂叶对超氧阴离子的清除活性为评价指标,分别对5种不同山楂叶HPLC指纹图谱的各指纹峰进行药效实验,建立各指纹峰峰面积与抗超氧阴离子活性之间关系(峰效关系)的数学模型,再通过数学、化学计量学、计算机编程与模拟等手段将山楂叶的HPLC指纹图谱翻译成生物活性指纹图谱(包括药效指纹图谱和效价指纹图谱)。结果建立了山楂叶的质量评价新模式,该模式预测值与实际值r=0.846(P<0.05)5个样品预测值均为实际值的70%以上。结论该模式是融化学鉴定与生物活性评价为一体的综合质量评价体系,弥补了已有中药质量评价模式的局限性,为中药现代化研究提供了一条新的思路。

Objective To study the relationship between HPLC fingerprint and its inhibition on O2÷ in Crataegi Folium.Methods The effect of Crataegi Folium on scavenging superoxide anion was taken as the target.HPLC Fingerprint peaks of five species of Crataegi Folium were isolated and used for the effective experiment.The mathematic models of the relation between the area and the effect of fingerprint peaks were established.According to the mathematic models,the HPLC fingerprint was changed into bioactive fingerprint(include effect fingerprint and potency fingerprint) with the help of mathematics,chemometrics,bioinformatics,and computer simulation,etc. Results The new evaluative pattern for the quality of Chinese materia medica(CMM) was established.The correlation coefficient between expected value and practical value was 0.846(P0.05).The expected values of five samples were all more than 70% of those in the practical value.Conclusion This evaluative pattern is an all-around evaluative system,which includes not only chemical identification but also effective evaluation for CMM.This study has made up for the deficiencies of the current evaluative pattern for the quality of CMM and has also provided a new idea for modern study on CMM.

国家自然科学基金资助项目(30472161);江西省自然科学基金资助项目(0640163)