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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

A Metabolomic Approach to Target Compounds from the Asteraceae Family for Dual COX and LOX Inhibition

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Chagas-Paula, Daniela A. [1, 2] ; Zhang, Tong [1] ; Da Costa, Fernando B. [2] ; Edrada-Ebel, RuAngelie [1]
Total Authors: 4
[1] Univ Strathclyde, John Arbuthnott Bldg, 161 Cathedral St, Glasgow G4 0RE, Lanark - Scotland
[2] Univ Sao Paulo, Sch Pharmaceut Sci Ribeirao Preto FCFRP, BR-14040903 Ribeirao Preto, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: METABOLITES; v. 5, n. 3, p. 404-430, SEP 2015.
Web of Science Citations: 24

The application of metabolomics in phytochemical analysis is an innovative strategy for targeting active compounds from a complex plant extract. Species of the Asteraceae family are well-known to exhibit potent anti-inflammatory (AI) activity. Dual inhibition of the enzymes COX-1 and 5-LOX is essential for the treatment of several inflammatory diseases, but there is not much investigation reported in the literature for natural products. In this study, 57 leaf extracts (EtOH-H2O 7:3, v/v) from different genera and species of the Asteraceae family were tested against COX-1 and 5-LOX while HPLC-ESI-HRMS analysis of the extracts indicated high diversity in their chemical compositions. Using O2PLS-DA (R-2 > 0.92; VIP > 1 and positive Y-correlation values), dual inhibition potential of low-abundance metabolites was determined. The O2PLS-DA results exhibited good validation values (cross-validation = Q(2) > 0.7 and external validation = P-2 > 0.6) with 0% of false positive predictions. The metabolomic approach determined biomarkers for the required biological activity and detected active compounds in the extracts displaying unique mechanisms of action. In addition, the PCA data also gave insights on the chemotaxonomy of the family Asteraceae across its diverse range of genera and tribes. (AU)

FAPESP's process: 10/10940-2 - Metabolomic studies of Asteraceae by LC-UV-MS, "in vitro" evaluation of the anti-inflammatory potential and their correlation by "in silico" methods
Grantee:Daniela Aparecida Chagas de Paula
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 10/51454-3 - Morphoanatomical, metabolomic and molecular studies as subsidies to the systematic of Asteraceae species and access to their pharmacological potential
Grantee:Beatriz Appezzato da Glória
Support type: Research Projects - Thematic Grants