Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang, PR China; CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, PR China.
CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, PR China.
J Pharm Biomed Anal. 2019 Feb 5;164:202-210. doi: 10.1016/j.jpba.2018.10.007. Epub 2018 Oct 3.
Red ginseng (RG) and white ginseng (WG), two processed products of Panax ginseng C. A. Meyer, are in high demand due to their unique features. In this study, some of these unique features were identified and confirmed as biomarkers of RG by using ultra-high-performance liquid chromatography-mass spectrometry, data mining, support vector machine, and artificial neural network. Principal component analysis showed clear separation between the RG and WG extracts, indicating the presence of potential discriminators. In addition, 20 features that are dominant in RG were found by data mining. Samples of Panax quinquefolium (PQ) and Panax notoginseng (PN), close relatives of Panax ginseng C.A.Meyer, were investigated and it was found that 17 features which were absent in PQ and PN samples, were present in RG and WG. Five of these markers were identified as nitrogen-containing compounds that have not been previously reported. Finally, we found that RG can be identified among different ginseng medicinal herbs including RG, WG, PQ, and PN samples, by loading four feature markers corresponding to nitrogen-containing compounds into a discriminating model, based on a support vector machine or an artificial neural network. Thus, this study provides an efficient tool to identify RG during pharmacological research.
红参（RG）和白参（WG）是 Panax ginseng C. A. Meyer 的两种加工产品，由于其独特的特性而备受需求。在这项研究中，我们使用超高效液相色谱-质谱联用、数据挖掘、支持向量机和人工神经网络等方法，确定并证实了其中一些独特特性是 RG 的生物标志物。主成分分析表明 RG 和 WG 提取物之间存在明显的分离，表明存在潜在的鉴别物。此外，通过数据挖掘发现了 20 种在 RG 中占主导地位的特征。对 Panax quinquefolium（PQ）和 Panax notoginseng（PN）这两种 Panax ginseng C.A.Meyer 的近缘种进行了研究，发现了 17 种在 PQ 和 PN 样品中不存在但在 RG 和 WG 中存在的特征。其中 5 种标志物被鉴定为含氮化合物，这是以前没有报道过的。最后，我们发现通过加载对应于含氮化合物的四个特征标志物到支持向量机或人工神经网络的判别模型中，RG 可以在不同的人参药材中，包括 RG、WG、PQ 和 PN 样本中进行鉴定。因此，本研究为在药理学研究中鉴定 RG 提供了一种有效的工具。
