School of Food Science and Technology, Jiangnan University, Wuxi 214122, China.
National Engineering Research Center for Functional Food, Jiangnan University, Wuxi 214122, China.
Molecules. 2020 Oct 19;25(20):4789. doi: 10.3390/molecules25204789.
The edible and medicinal part of Wall. () is confined to its root without sufficient phytochemical and biological investigation. In this study, the secondary metabolites of root, stem, leaf, and flower of Wall. were visualized using Global Natural Products Social Molecular Networking (GNPS), MolNetEnhancer, XCMS(xcmsonline.scripps.edu) analysis, and `ili mapping based on high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) data to reveal their chemical differences. Among the 11 kinds of chemical repertoires annotated by MolNetEnhancer and 16 hits against the GNPS library, 10-isobutyryloxy-8,9-epoxythymol isobutyrate () was revealed as the most dominant and responsible marker between the roots and the other parts. Moreover, a battery of unique MS features as well as differential markers were discovered from different parts of the plant. The chemical differences contribute to the bioactivity differences, which presented in the 2,2-diphenyl-1-picryl-hydrazyl (DPPH)assay and HO-insulted HepG2 cells and were in significant correlations with the contents of . real-time reverse transcription polymerase chain reaction (RT-PCR)results demonstrated that Wall. extracts upregulated the mRNA expression of nuclear factor E2-related factor 2(Nrf2), heme oxygenase 1(HO-1), NAD(P)H quinone dehydrogenase 1 (NQO1), manganese superoxide dismutase (MnSOD), and glutamate-cysteine ligase catalytic subunit (GCLC) actors involved in antioxidative response in HO-challenged HepG2 cells. These findings support the roots of Wall. as active parts of , and also indicate the potential antioxidant activities of other parts.
墙草（Wall.）的可食用和药用部分仅限于其根，缺乏足够的植物化学和生物学研究。在这项研究中，使用全球天然产物社会分子网络（GNPS）、MolNetEnhancer、XCMS（xcmsonline.scripps.edu）分析和基于高效液相色谱-串联质谱（HPLC-MS/MS）数据的`ili 映射，可视化了根、茎、叶和花的次生代谢产物，以揭示它们的化学差异。在 MolNetEnhancer 注释的 11 种化学库和对 GNPS 库的 16 个命中中，10-异丁酰氧基-8,9-环氧丁香酚异丁酸酯（）被揭示为根部与其他部位之间最主要和负责的标志物。此外，还从植物的不同部位发现了一系列独特的 MS 特征和差异标志物。化学差异导致生物活性差异，这在 2,2-二苯基-1-苦基肼（DPPH）测定和 HO 损伤 HepG2 细胞中表现出来，并且与含量呈显著相关。实时逆转录聚合酶链反应（RT-PCR）结果表明，墙草提取物上调了核因子 E2 相关因子 2（Nrf2）、血红素加氧酶 1（HO-1）、NAD（P）H 醌氧化还原酶 1（NQO1）、锰超氧化物歧化酶（MnSOD）和谷氨酸-半胱氨酸连接酶催化亚基（GCLC）的 mRNA 表达，这些基因参与 HO 损伤 HepG2 细胞中的抗氧化反应。这些发现支持墙草的根是其活性部位，并表明其他部位具有潜在的抗氧化活性。
