Philippus Ana Cláudia, Zatelli Gabriele A, Wanke Tauana, Gabriela de A Barros Maria, Kami Satomy A, Lhullier Cintia, Armstrong Lorene, Sandjo Louis P, Falkenberg Miriam
Federal University of Santa Catarina (UFSC), Postgraduate Program in Pharmacy, Health Sciences Center Florianópolis 88040-900 Brazil
RSC Adv. 2018 Aug 21;8(52):29654-29661. doi: 10.1039/c8ra02802h. eCollection 2018 Aug 20.
Molecular networking (MN) can efficiently dereplicate extracts and pure compounds. Red algae of the genus are rich in halogenated secondary metabolites, mainly sesquiterpenes and C-acetogenins. Brown algae of the genus produce mainly C-hydrocarbons, sesquiterpenes and sulfur-containing compounds, while and are reported to contain mainly diterpenes. This study performs an exploratory MN analysis of 14 extracts from algae collected in Brazil (including the oceanic islands) and characterizes the secondary metabolites from the analyzed species. The extracts and some isolated metabolites were analyzed by LC-MS using the FastDDA algorithm, and the MS/MS spectra were submitted to GNPS and displayed in Cytoscape 3.5.1. The GNPS platform generated 68 individual nodes and nine family networks. The MN exploratory analysis indicated chemical differences among species, and also in sampling sites for the same species. For some extracts, it was possible to identify mass values that could correspond to terpenoids and C-acetogenins that have already been isolated from those or related species. An interesting chemodiversity was highlighted between from two nearby islands, and this was revealed and was also suggested by the family networks. Many nodes in the MN could not be characterized, and these metabolites can be used as targets for isolation in future works.
分子网络（MN）能够有效地对提取物和纯化合物进行去重复分析。[此处原文缺失具体属名]属的红藻富含卤代次生代谢产物，主要是倍半萜和C-乙酰基甘油酯。[此处原文缺失具体属名]属的褐藻主要产生C-烃类、倍半萜和含硫化合物，而据报道[此处原文缺失具体属名]和[此处原文缺失具体属名]主要含有二萜类化合物。本研究对从巴西（包括海洋岛屿）采集的藻类的14种提取物进行了探索性MN分析，并对所分析物种的次生代谢产物进行了表征。使用FastDDA算法通过液相色谱-质谱联用仪对提取物和一些分离出的代谢产物进行分析，并将串联质谱图提交给全球天然产物社会分子网络（GNPS），并在Cytoscape 3.5.1中显示。GNPS平台生成了68个单独的节点和9个家族网络。MN探索性分析表明了物种之间以及同一物种不同采样地点之间的化学差异。对于一些提取物，有可能鉴定出与已从这些物种或相关物种中分离出的萜类化合物和C-乙酰基甘油酯相对应的质量值。两个相邻岛屿的[此处原文缺失具体物种名]之间突出显示了有趣的化学多样性，这在家族网络中得到了揭示和暗示。MN中的许多节点无法表征，这些代谢产物可作为未来研究中分离的目标。
