山东科学 ›› 2020, Vol. 33 ›› Issue (4): 18-23.doi: 10.3976/j.issn.1002-4026.2020.04.004

• 药理与毒理 • 上一篇    下一篇

偏最小二乘回归分析法在黄芩抑菌谱-效关系及数学模型研究中的应用

丁晓彦,俎龙辉, 王变利   

  1. 山东省中医药研究院 山东省中药质量标准规范化研究重点实验室,山东 济南 250014
  • 收稿日期:2019-11-26 出版日期:2020-07-27 发布日期:2020-07-28
  • 作者简介:丁晓彦(1983—),女,副研究员,研究方向为中药分析及中药质量综合评价研究。E-mail: kate-66@163.com
  • 基金资助:
    山东省中医药科技发展计划(2013-129);山东省重点研发计划(2017CXGC1306);山东省重大科技创新工程(2018CXGC1310);国家重点研发计划(2017YFC1701501);国家自然科学基金(81274080)

Application of partial least squares regression analysis in the study of the antibacterial spectrum-effect relationship and mathematical model of Scutellariae Radix

DING Xiao-yan,ZU Long-hui,WANG Bian-li   

  1. Shandong Key Laboratory of Chinese Medicine Quality Standard Research, Shandong Academy of Chinese Medicine,Jinan 250014,China
  • Received:2019-11-26 Online:2020-07-27 Published:2020-07-28

摘要: 以黄芩药材指纹图谱及其对金黄色葡萄球菌抑菌率为基础数据,采用偏最小二乘回归分析法(PLS)进行数据的谱-效相关性分析,并建立数学模型。结果表明,黄芩中有5个成分对抑菌率的影响较大,建立模型的药效预测值偏差在10%以内,能够较好地预测药效。该方法及所建立的数学模型能成为预测黄芩抑制金黄色葡萄球菌的药效作用的一种有效的手段。

关键词: 黄芩, 谱-效关系, 偏最小二乘回归分析法, 数学模型

Abstract: Based on the fingerprint of Scutellariae Radix and its inhibition rate of Staphylococcus aureus, the partial least squares regression method was used to analyze the correlation of the antibacterial spectrum-effect relationship, and a mathematical model was established. Results showed that five components in Scutellariae Radix have a significant effect on the bacteriostasis rate. The established model could predict the efficacy of Scutellariae Radix with a deviation of less than 10%, indicating the desired prediction for the efficacy. The partial least squares regression method and the established mathematical model can provide an effective way to predict the inhibition rate of Staphylococcus aureus for the efficacy of Scutellariae Radix.

Key words: Scutellariae Radix;spectrum-effect relationship, partial least squares regression analysis, mathematical model

中图分类号: 

  • R282.7.1