In this study, metabolite maps were conducted on leaf samples accessions of sp. in Guangxi (C6, C13, CZ4, JX2, RM1, and BM3) and six related species including (CH), (XZ), (CB), (HN), (HB), and (SL). We identified 2,971 compounds including carboxylic acids and their derivatives, organooxygen compounds, prenol lipids, benzenes and their substituted derivatives, and flavonoids. Of those, 73 characteristic secondary metabolites were screened out by weighted correlation network analysis (WGCNA). Pterostilbene, 9--retinal, and dracorubin were unique to the sp. in Guangxi, and 3-hydroxytridecanoic acid and chrysin were highly abundant in them. An antioxidant activity assay disclosed that all 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) scavenging rates and all fluorescence recovery after photobleaching (FRAP) rates were in the ranges of 75–87 % and 3.10–3.25 μmol/mL, respectively, for the sp. in Guangxi. Hence, the latter have relatively high and stable foliar antioxidant activity. A network pharmacological analysis of the top 20 metabolites in leaf and their 446 antioxidant-related disease targets revealed ten core action targets, including GAPDH, AKT1, MAPK3, VEGFA, CASP3, TNF, MAPK1, SRC, EGFR, and MAPK8. An antioxidant-related compound-target-pathway network was constructed and verified by molecular docking. The results of this study provide a theoretical basis for mining and exploiting the foliar secondary metabolites of .

中文翻译：

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龙血树属的网络药理学。广西及其近缘种叶次生代谢产物具有抗氧化特性

在这项研究中，对 sp. 的叶子样品种质进行了代谢图谱分析。广西（C6、C13、CZ4、JX2、RM1 和 BM3）以及 6 个相关物种，包括（CH）、（XZ）、（CB）、（HN）、（HB）和（SL）。我们鉴定了 2,971 种化合物，包括羧酸及其衍生物、有机氧化合物、异戊烯醇脂质、苯及其取代衍生物以及类黄酮。通过加权相关网络分析（WGCNA）筛选出73个特征性次生代谢物。紫檀芪、9-视黄醛和龙血红素是该物种所独有的。广西地区，其中3-羟基十三烷酸和白杨素含量很高。抗氧化活性测定显示，所有 1,1-二苯基-2-三硝基苯肼自由基 (DPPH) 清除率和所有光漂白后荧光恢复 (FRAP) 率分别在 75–87% 和 3.10–3.25 μmol/mL 范围内，对于 sp。在广西。因此，后者具有较高且稳定的叶面抗氧化活性。对叶子中前 20 种代谢物及其 446 个抗氧化相关疾病靶点的网络药理学分析揭示了 10 个核心作用靶点，包括 GAPDH、AKT1、MAPK3、VEGFA、CASP3、TNF、MAPK1、SRC、EGFR 和 MAPK8。通过分子对接构建并验证了抗氧化剂相关的化合物-靶标-通路网络。本研究结果为石斛叶次生代谢产物的挖掘和开发利用提供了理论依据。