Construction of Prediction Models for the Transient Receptor Potential Vanilloid Subtype 1 (TRPV1)-Stimulating Activity of Ginger and Processed Ginger Based on LC-HRMS Data and PLS Regression Analyses

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.

为构建基于成分信息评估生姜（Zingiber officinale Roscoe）产热效应的模型公式，本研究以液相色谱-高分辨质谱（liquid chromatography–high-resolution mass spectrometry, LC-HRMS）测得的成分数据，以及瞬时受体电位香草酸亚型1（transient receptor potential vanilloid subtype 1, TRPV1）受体激动活性值分别作为解释变量与响应变量，采用偏最小二乘回归（partial least-squares projections to latent structures, PLS）方法构建了TRPV1激动活性预测模型。通过优化LC-HRMS数据的峰提取条件与PLS回归分析的数据预处理参数，本研究成功构建了精度优异的TRPV1激动活性预测模型。随后通过分析模型的载荷图与s图，筛选得到TRPV1激动活性的关键贡献成分，并鉴定出[6]-姜辣素（1）与六氢姜黄素（3）为该活性成分。