Martucci Maria Elvira Poleti, De Vos Ric C H, Carollo Carlos Alexandre, Gobbo-Neto Leonardo
University of São Paulo (USP), School of Pharmaceutical Sciences of Ribeirão Preto, Ribeirão Preto, SP, Brazil.
BU Bioscience, Plant Research International,Wageningen, The Netherlands; Centre for Biosystems Genomics, Wageningen, The Netherlands; Netherlands Metabolomics Centre, Einsteinweg, Leiden, The Netherlands.
PLoS One. 2014 Apr 15;9(4):e93149. doi: 10.1371/journal.pone.0093149. eCollection 2014.
The taxonomic classification of the genus Vernonia Schreb is complex and, as yet, unclear. We here report the use of untargeted metabolomics approaches, followed by multivariate analyses methods and a phytochemical characterization of ten Vernonia species. Metabolic fingerprints were obtained by accurate mass measurements and used to determine the phytochemical similarities and differences between species through multivariate analyses approaches. Principal component analysis based on the relative levels of 528 metabolites, indicated that the ten species could be clustered into four groups. Thereby, V. polyanthes was the only species with presence of flavones chrysoeriol-7-O-glycuronyl, acacetin-7-O-glycuronyl and sesquiterpenes lactones piptocarphin A and piptocarphin B, while glaucolide A was detected in both V. brasiliana and V. polyanthes, separating these species from the two other species of the Vernonanthura group. Species from the Lessingianthus group were unique in showing a positive response in the foam test, suggesting the presence of saponins, which could be confirmed by metabolite annotation. V. rufogrisea showed a great variety of sesquiterpene lactones, placing this species into a separate group. Species within the Chrysolaena group were unique in accumulating clovamide. Our results of LC-MS-based profiling combined with multivariate analyses suggest that metabolomics approaches, such as untargeted LC-MS, may be potentially used as a large-scale chemotaxonomical tool, in addition to classical morphological and cytotaxonomical approaches, in order to facilitate taxonomical classifications.
斑鸠菊属（Vernonia Schreb）的分类学分类很复杂，目前尚不清楚。我们在此报告了非靶向代谢组学方法的应用，随后进行了多变量分析方法以及对十种斑鸠菊属植物的植物化学特征分析。通过精确质量测量获得代谢指纹图谱，并用于通过多变量分析方法确定物种之间的植物化学相似性和差异。基于528种代谢物相对水平的主成分分析表明，这十个物种可分为四组。因此，多花斑鸠菊（V. polyanthes）是唯一含有黄酮类化合物 Chrysoeriol-7-O-葡萄糖醛酸、刺槐素-7-O-葡萄糖醛酸以及倍半萜内酯pipocarphin A和pipocarphin B的物种，而巴西斑鸠菊（V. brasiliana）和多花斑鸠菊中均检测到了glaucolide A，这将这些物种与Vernonanthura组的其他两个物种区分开来。来自Lessingianthus组的物种在泡沫试验中表现出阳性反应，这表明存在皂苷，这可以通过代谢物注释得到证实。红灰斑鸠菊（V. rufogrisea）显示出多种倍半萜内酯，将该物种归入一个单独的组。Chrysolaena组内的物种在积累氯缬草酰胺方面具有独特性。我们基于液相色谱-质谱联用的分析结果与多变量分析相结合表明，除了经典的形态学和细胞分类学方法外，代谢组学方法，如非靶向液相色谱-质谱联用，可能潜在地用作大规模化学分类学工具，以促进分类学分类。
