Xu Lilan, Zuo Si-Min, Liu Mei, Wang Tao, Li Zizheng, Yun Yong-Huan, Zhang Weimin
Key Laboratory of Tropical Fruits and Vegetables Quality and Safety for State Market Regulation, School of Food Science and Engineering, Hainan University, Haikou 570228, China.
Metabolites. 2023 Jul 26;13(8):886. doi: 10.3390/metabo13080886.
() is a precious medicinal species of Orchidaceae, and the product obtained by hot processing is called "Fengdou". At present, the research on the processing quality of mainly focuses on the chemical composition indicators such as polysaccharides and flavonoids content. However, the changes in metabolites during processing are still unclear. In this study, the process was divided into two stages and three important conditions including fresh stems, semiproducts and "Fengdou" products. To investigate the effect of processing on metabolites of in different processing stages, an approach of combining metabolomics with network pharmacology and molecular docking was employed. Through UPLC-MS/MS analysis, a total of 628 metabolites were detected, and 109 of them were identified as differential metabolites (VIP ≥ 1, |log2 (FC)| ≥ 1). Next, the differential metabolites were analyzed using the network pharmacology method, resulting in the selection of 29 differential metabolites as they have a potential pharmacological activity. Combining seven diseases, 14 key metabolites and nine important targets were screened by constructing a metabolite-target-disease network. The results showed that seven metabolites with potential anticoagulant, hypoglycemic and tumor-inhibiting activities increased in relative abundance in the "Fengdou" product. Molecular docking results indicated that seven metabolites may act on five important targets. In general, processing can increase the content of some active metabolites of and improve its medicinal quality to a certain extent.
（）是兰科一种珍贵的药用植物，其经过炮制加工得到的产品称为“枫斗”。目前，对（）炮制质量的研究主要集中在多糖、黄酮类化合物含量等化学成分指标上。然而，（）炮制过程中代谢产物的变化仍不清楚。在本研究中，将炮制过程分为两个阶段和鲜茎、半成品、“枫斗”产品三个重要状态。为了研究炮制对（）不同炮制阶段代谢产物的影响，采用了代谢组学与网络药理学和分子对接相结合的方法。通过超高效液相色谱-串联质谱分析，共检测到628种代谢产物，其中109种被鉴定为差异代谢产物（VIP≥1，|log2（FC）|≥1）。接下来，使用网络药理学方法对差异代谢产物进行分析，筛选出29种具有潜在药理活性的差异代谢产物。结合七种疾病，通过构建代谢产物-靶点-疾病网络筛选出14种关键代谢产物和九个重要靶点。结果表明，“枫斗”产品中七种具有潜在抗凝、降血糖和抑癌活性的代谢产物相对丰度增加。分子对接结果表明，七种代谢产物可能作用于五个重要靶点。总体而言，炮制可以增加（）一些活性代谢产物的含量，并在一定程度上提高其药用质量。
