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Metabolomic studies of Piperaceae species by MS and NMR: development of analytical methods and dereplication strategies for exploitation of substances of therapeutic interest

Grant number: 14/22239-8
Support Opportunities:Scholarships in Brazil - Doctorate
Effective date (Start): January 01, 2015
Effective date (End): June 30, 2018
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Organic Chemistry
Acordo de Cooperação: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal Investigator:Maysa Furlan
Grantee:Amauri Alves de Souza Júnior
Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil
Associated scholarship(s):17/15014-8 - MS and NMR predict datasets of benzopyrans from Piperaceae species for new insights into metabolomic studies, BE.EP.DR


The use of plants in traditional medicine dates from ancient times, and many species are known and used for the treatment of various diseases that plague man. The evolution of science, the dissemination of knowledge about the plants and research of biologically active substances derived from plant metabolism enabled the production of several drugs. However, in the last century, classical phytochemical studies developed with diverse families of plants were able to recognize only the main secondary metabolites in a given biological matrix, which restricts the ability to explore the diversity chemical of these metabolites and the potential to find new bioactive molecules. Thus, it is of fundamental importance in bioprospecting programs, the improvement of new strategies to assist the analysis of natural matrices with high complexity. Allied to this fact, advances in sensitivity, robustness and versatility of the techniques of Nuclear Magnetic Resonance, Mass Spectrometry and Chromatographic Methods conjugated availability of databases and statistical tools for the interpretation of datasets generated by these approaches has contributed for rational exploitation of biodiversity. Therefore, this study aims to develop tools for the study of the metabolomic profile of Piperaceae family plants, mainly biologically active metabolites, including amides, chromenes and chromanes. Thus, the plant extracts will be analyzed by HPLC-SPE-NMR, HPLC-DAD-MS and metabolomics and dereplication strategies for a comprehensive investigation of their chemical composition. Furthermore, will be developed integrated experimental models of metabolic profile of these matrices. In addition, this project also aims to generate results that can support future research with an emphasis on functional studies such as proteomics, transcriptomics and genomics. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SOUZA, AMAURI ALVES; VESSECCHI, RICARDO; CASTRO-GAMBOA, IAN; FURLAN, MAYSA. Combined use of tandem mass spectrometry and computational chemistry to study 2H-chromenes from Piper aduncum. Journal of Mass Spectrometry, v. 54, n. 7, p. 634-642, . (17/15014-8, 14/22239-8, 14/23604-1, 13/07600-3, 14/50265-3)
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
SOUZA JÚNIOR, Amauri Alves de. Application of electrospray ionization and computational chemistry in the study of benzopyrans from Piperaceae species. 2018. Doctoral Thesis - Universidade Estadual Paulista (Unesp). Instituto de Química. Araraquara Araraquara.

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