基于谱-效相关黄芩提取物抑菌药效物质基础及质量评价系统的研究  

Research on effective substance of Scutellaria extract and the quality evaluation system based on spectrum-effect correlation

作　　者：俎龙辉 王变利[1] 高樱 孙启慧 高燕[3] 姜明明 ZU Long-hui;WANG Bian-li;GAO Ying;SUN Qi-hui;GAO Yan;JIANG Ming-ming(Shandong Key Laboratory of Chinese Medicine Quality Standard Research,Shandong Academy of Chinese Medicine,Shandong Jinan 250014,China;Shandong Institute for Food and Drug Control,Shandong Jinan 250101,China;Shandong University of Traditional Chinese Medicine,Shandong Jinan 250355,China;Shandong Agriculture and Engineering University,Shandong Jinan 250100,China)

机构地区：[1]山东省中医药研究院山东省中药质量标准研究重点实验室,山东济南250014 [2]山东省食品药品检验研究院,山东济南250101 [3]山东中医药大学,山东济南250355 [4]山东农业工程学院,山东济南250100

出　　处：《中国医院药学杂志》2020年第20期2095-2101,共7页Chinese Journal of Hospital Pharmacy

基　　金：国家重点研发计划(编号:2017YFC1701501);山东省重点研发计划(编号:2016GSF202005、编号:2017CXGC1306、2018CXGC1310);山东省中医药科技发展计划(编号:2013-129);山东省医药卫生科技发展计划(编号:2017WS178)。

摘　　要：目的:建立黄芩提取物抑菌谱-效相关质量评价系统,对其药效物质基础进行分析。方法:自制黄芩提取物,建立HPLC指纹图谱检测方法;采用微量稀释法测定黄芩提取物样品水提液的抑菌率。利用灰色关联分析、相关分析及偏最小二乘回归分析对谱-效数据进行关联分析,挖掘药效物质基础;同时采用最小二乘支持向量机(LS-SVM)方法建立数学模型。结果:成分4,7,8,9,10与抑菌率呈正相关关系;相关分析显示,成分3,7,4,5,6,9与抑菌率药效呈(非常)显著的相关关系;偏最小二乘回归分析显示,成分3,4,5,6,7,9的标准化回归系数绝对值较大,VIP值大于或接近于1,对抑菌率贡献率较大;数学模型预测值与实测值相对误差在6%以下。结论:初步确定黄芩提取物抑菌药效物质基础主要为汉黄芩苷、汉黄芩素以及白杨素-7-O-葡萄糖醛酸苷;数学模型的建立,达到了从抑菌作用评价黄芩提取物质量的目的,并为中药谱-效相关质量评价系统的建立提供了详细的数据支撑。OBJECTIVE To establish a quality evaluation system for antibacterial spectrum-efficacy correlation of Scutellaria baicalensis extract and analyze its pharmacodynamic substance basis.METHODS The extract of Scutellaria baicalensis was prepared and the HPLC fingerprint was established.The antibacterial rate of the aqueous extract of Scutellaria baicalensis was determined by microdilution method.Grey correlation analysis,correlation analysis and partial least squares regression analysis were used to correlate the spectrum-effect data and mine the pharmacodynamic material basis;at the same time,the mathematical model was established using the least squares support vector machine(LS-SVM)method.RESULTS Ingredients 4,7,8,9,10 were positively correlated with antibacterial rate,and the correlation analysis shows a significant correlation between components 3,7,4,5,6,9 and antibacterial efficacy;the partial least squares regression analysis shows that the absolute value of the standardized regression coefficients of components 3,4,5,6,7,9 was large and the value of VIP was greater than or close to 1,and there was a large contribution to antibacterial rate;the relative error between the predicted value of the mathematical model and the measured value was below 6%.CONCLUSION The effective substance of anti-bacteria of Scutellaria extract was preliminarily determined through various mathematical methods,which included wogonoside,wogonin and chrysin-7-O-glucuronide.The establishment of mathematical model achieved the goal of evaluating the quality of Scutellaria extract from the effect of anti-bacterial effect,and provided detailed data support for the establishment of the Chinese medicine spectrum-effect correlation quality evaluation system.

关 键 词：黄芩提取物 谱-效相关质量评价 药效物质基础 最小二乘支持向量机(LS-SVM) 偏最小二乘回归分析 

分 类 号：R927.2[医药卫生—药学]