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Development of analytical methods of dereplication by NMR and multivaried analysis of metabolomic profile from Solanaceae species with bioactive potential

Grant number: 10/17935-4
Support Opportunities:Scholarships in Brazil - Doctorate
Effective date (Start): March 01, 2011
Effective date (End): April 30, 2015
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Organic Chemistry
Principal Investigator:Ian Castro-Gamboa
Grantee:Alan Cesar Pilon
Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil
Associated scholarship(s):13/01542-1 - Development of multivariate statistical tools and bioinformatics aiming the metabolomic study of Medicago truncatula ecotypes using GC and UHPLC-MS, BE.EP.DR


The use of drugs from natural sources is as old as humanity itself. However, due to the economic impact caused by globalization, many pharmaceutic industries searched for alternatives to speed-up assays aiming for simpler structural molecules and low-costs budgets. Therefore, the insertion and development of methods of dereplication associated to metabolomics studies through an approach in system biology is a key issue when searching for bioactive molecules. Recently, due to the advancement of technology, the use of hyphenated techniques such as high performance liquid chromatography (HPLC) coupled to spectroscopic methods like nuclear magnetic resonance (NMR) and high resolution mass spectrometry (HRMS) intensified the metabolomic and system biology research in plants and fungi thus, accelerating the selection of bioactive substances. This project aims to study the molecular dynamics in complex matrixes using multivariate analysis and in doing so generating analytical tools to apply as a rational approach towards the study of bioactive natural products and the understanding of their complexity. To accomplish this task, specimens deposited in our bank of extracts, from the Solanaceae family, little studied on their chemical composition but that showed interesting bioactivities form initial biological screenings, will be the object of study on this project.

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Scientific publications (4)
(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)
MOREIRA, DUARDA ANTUNES; PILON, ALAN CESAR; ANDRADE, LAURA ELENA; LOPES, NORBERTO PEPORINE. New Perspectives on Chlorogenic Acid Accumulation in Harvested Leaf Tissue: Impact on Traditional Medicine Preparations. ACS OMEGA, v. 3, n. 12, p. 18380-18386, . (14/50265-3, 15/09227-3, 10/17935-4, 16/13292-8)
PILON, ALAN CESAR; GU, HAIWEI; RAFTERY, DANIEL; BOLZANI, VANDERLAN DA SILVA; LOPES, NORBERTO PEPORINE; CASTRO-GAMBOA, IAN; CARNEVALE NETO, FAUSTO. Mass Spectral Similarity Networking and Gas-Phase Fragmentation Reactions in the Structural Analysis of Flavonoid Glycoconjugates. Analytical Chemistry, v. 91, n. 16, p. 10413-10423, . (16/13292-8, 10/17935-4, 03/02176-7, 14/12343-2, 10/07564-9, 14/50265-3)
NETO, FAUSTO CARNEVALE; PILON, ALAN C.; SELEGATO, DENISE M.; FREIRE, RAFAEL T.; GU, HAIWEI; RAFTERY, DANIEL; LOPES, NORBERTO P.; CASTRO-GAMBOA, IAN. Dereplication of Natural Products Using GC-TOF Mass Spectrometry: Improved Metabolite Identification by Spectral Deconvolution Ratio Analysis. FRONTIERS IN MOLECULAR BIOSCIENCES, v. 3, . (03/02176-7, 14/05935-0, 10/17935-4)
PILON, ALAN CESAR; NETO, FAUSTO CARNEVALE; FREIRE, RAFAEL TEIXEIRA; CARDOSO, PATRICIA; CARNEIRO, RENATO LAJARIM; BOLZANI, VANDERLAN DA SILVA; CASTRO-GAMBOA, IAN. Partial least squares model and design of experiments toward the analysis of the metabolome of Jatropha gossypifolia leaves: Extraction and chromatographic fingerprint optimization. JOURNAL OF SEPARATION SCIENCE, v. 39, n. 6, p. 1023-1030, . (10/17935-4, 13/07600-3)
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
PILON, Alan Cesar. Desenvolvimento de métodos analíticos de desreplicação por RMN, EM e análise multivariada do perfil metabolômico de espécies de Solanaceae com potencial biológico. 2015. Doctoral Thesis - Universidade Estadual Paulista (Unesp). Instituto de Química. Araraquara Araraquara.

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