Abstract
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.
Highlights
The tribe Vernonieae has a Pantropical distribution, being widely present in the New and Old Worlds
LC-MS-based metabolic fingerprinting of crude aqueousmethanol extracts prepared from dried leaves was performed for all species, in both positive and negative electrospray ionization (ESI) modes
The data obtained in positive mode were automatically processed by MetAlign and redundant peaks removed using MSClust software, these final reconstructed metabolite features were submitted to multivariate analysis
Summary
The tribe Vernonieae has a Pantropical distribution, being widely present in the New and Old Worlds. Despite the fact that the subtribe Vernoniinae is well established from a taxonomic point of view, there are several classification divergences concerning the generic limits of the Vernonia genus [3,7,8,9,10]. The species within this genus present a great variability in habit and morphology, leading to diverse criteria of taxonomic delimitation [11]. Robinson (1999) suggested segregating several New World species into several new groups (genera), the most representative of them being Lessingianthus, Chrysolaena, Lepidaploa and Vernonanthura, thereby mainly restricting the genus Vernonia to those species growing in North America
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