Antonio Ananda da Silva, Oliveira Davi Santos, Cardoso Dos Santos Gustavo Ramalho, Pereira Henrique Marcelo Gualberto, Wiedemann Larissa Silveira Moreira, da Veiga-Junior Valdir Florêncio
Chemistry Department, Institute of Exact Sciences, Federal University of Amazonas Avenida Rodrigo Octávio, 6200, Coroado, CEP: 69.077-000 Manaus AM Brazil
Federal University of Rio de Janeiro, Chemistry Institute, Brazilian Doping Control Laboratory (LBCD - LADETEC/IQ - UFRJ) Avenida Horácio Macedo, 1281 - Pólo de Química - Cidade Universitária, Ilha do Fundão, CEP: 21941-598 Rio de Janeiro RJ Brazil.
RSC Adv. 2021 Jul 19;11(40):25096-25103. doi: 10.1039/d1ra03163e. eCollection 2021 Jul 13.
Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. This approach aims to produce as much chemical information as possible, without focusing on any specific chemical class, thus, requiring extensive chemometric effort. This study aimed to evaluate the feasibly of an untargeted metabolomics method in phytochemistry by a study case of the genus (Fabaceae). This genus contains significant medicinal species used worldwidely. exploitation issues include a lack of chemical data, ambiguous species identification methods and absence of quality control for its bioproducts. Different organs of five species were analysed by UHPLC-HRMS/MS, GNPS platform and chemometric tools. Untargeted metabolomics enabled the identification of 19 chemical markers and 29 metabolites, distinguishing each sample by species, plant organs, and biome type. Chemical markers were classified as flavonoids, terpenoids and condensed tannins. The applied method provided reliable information about species chemodiversity using fast workflow with little sampling size. The untargeted approach by UHPLC-HRMS/MS proved to be a promising tool for species identification, pharmacological prospecting and in the future for the quality control of extracts used in the manufacture of bioproducts.
非靶向代谢组学是化学指纹图谱分析中的一种强大工具。它可应用于植物化学领域，以辅助生物制品的物种鉴定、系统研究和质量控制。这种方法旨在生成尽可能多的化学信息，而不聚焦于任何特定的化学类别，因此需要大量的化学计量学工作。本研究旨在通过豆科某属的一个研究案例，评估非靶向代谢组学方法在植物化学中的可行性。该属包含全球广泛使用的重要药用物种。其开发面临的问题包括缺乏化学数据、物种鉴定方法不明确以及生物制品缺乏质量控制。通过超高效液相色谱-高分辨质谱/质谱、全球天然产物社会分子网络（GNPS）平台和化学计量学工具，对五个物种的不同器官进行了分析。非靶向代谢组学能够鉴定出19种化学标志物和29种代谢物，可按物种、植物器官和生物群落类型区分每个样本。化学标志物分为黄酮类、萜类和缩合单宁。所应用的方法使用快速工作流程且样本量小，提供了有关物种化学多样性的可靠信息。超高效液相色谱-高分辨质谱/质谱的非靶向方法被证明是一种用于物种鉴定、药理勘探以及未来用于生物制品生产中提取物质量控制的有前景的工具。
