Division of Pharmacognosy, Phytochemistry and Narcotics, National Institute of Health Sciences , 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan.
Faculty of Pharmaceutical Sciences, Tokyo University of Science , 2641 Yamazaki, Noda, Chiba 278-8510, Japan.
J Agric Food Chem. 2017 May 3;65(17):3581-3588. doi: 10.1021/acs.jafc.7b00577. Epub 2017 Apr 19.
To construct a model formula to evaluate the thermogenetic effect of ginger (Zingiber officinale Roscoe) from the ingredient information, we established transient receptor potential vanilloid subtype 1 (TRPV1)-stimulating activity prediction models by using a partial least-squares projections to latent structures (PLS) regression analysis in which the ingredient data from liquid chromatography-high-resolution mass spectrometry (LC-HRMS) and the stimulating activity values for TRPV1 receptor were used as explanatory and objective variables, respectively. By optimizing the peak extraction condition of the LC-HRMS data and the data preprocessing parameters of the PLS regression analysis, we succeeded in the construction of a TRPV1-stimulating activity prediction model with high precision ability. We then searched for the components responsible for the TRPV1-stimulating activity by analyzing the loading plot and s-plot of the model, and we identified [6]-gingerol (1) and hexahydrocurcumin (3) as TRPV1-stimulating activity components.
为了从成分信息构建评估生姜（Zingiber officinale Roscoe）生热作用的模型公式，我们使用偏最小二乘投影至潜在结构（PLS）回归分析，分别将来自液相色谱-高分辨质谱（LC-HRMS）的成分数据和 TRPV1 受体的刺激活性值作为解释变量和目标变量，建立了 TRPV1 刺激活性预测模型。通过优化 LC-HRMS 数据的峰提取条件和 PLS 回归分析的数据预处理参数，我们成功构建了具有高精度能力的 TRPV1 刺激活性预测模型。然后，我们通过分析模型的载荷图和 s-plot，寻找 TRPV1 刺激活性的成分，鉴定出[6]-姜酚（1）和六氢姜黄素（3）为 TRPV1 刺激活性成分。
