谱效研究结合偏最小二乘法在石菖蒲挥发油有效成分筛选中的应用

Application of Spectrum-effect Research Combined with PLS to Identify the Bioactive Compounds of Volatile Oil from Acorus tatarinowii Schott

目的建立谱效研究结合偏最小二乘法(PLS)筛选石菖蒲挥发油有效成分的方法。方法采用GC-MS技术和药效实验对石菖蒲挥发油进行谱效研究,应用SIMCA P11.5软件进行偏最小二乘法判别分析,通过各成分的相关系数和投影变量重要性值预判起药效作用的主要成分,再采用单体进行验证。结果 PLS筛选出石菖蒲挥发油耐缺氧作用和催醒作用的主要有效成分是β-细辛醚,单体验证试验结果一致。结论谱效研究结合PLS在筛选有效成分的研究中有很好的应用。

Objective Establish an efficient method to screen effective constituents of volatile oil from Acorus tatarinowii Schott by spectrum-effect research combined with Partial least squares（PLS）. Methods The GC-MStechnique was applied and pharmacodynamical examination was performed to study the spectrum-effect relationshipof volatile oil from Acorus tatarinowii Schott,and then the SIMCA P11.5 was used to analyze PLS regression. Mainpharmacodynamical components were identified by correlation and variable importance value in projection based onPLS. Afterward, the single costituents of the volatile oil were used to validate by the same assay. Results Theresults of PLS showed that β-asarone was the main effective component of volatile oil from Acorus tatarinowii Schottfor tolerance of hypoxia and arousal effects; assay of single compounds also revealed the consistent result.Conclusion The study revealed that spectral-efficiency study combined with PLS should have a good application inthe study of effective components.