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

University of Strathclyde, the John Arbuthnott Building, 161 Cathedral Street, Glasgow G4 0RE, UK
School of Pharmaceutical Sciences of Ribeirão Preto (FCFRP), University of São Paulo (USP), Department of Pharmaceutical Sciences, Av. Café s/n, Ribeirão Preto-SP 14040-903, Brazil
Authors to whom correspondence should be addressed.
Academic Editor: Peter Meikle
Metabolites 2015, 5(3), 404-430;
Received: 26 February 2015 / Revised: 23 June 2015 / Accepted: 30 June 2015 / Published: 8 July 2015
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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 (R2 > 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 = Q2 > 0.7 and external validation = P2 > 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. View Full-Text
Keywords: metabolomics; Asteraceae; COX; LOX; HPLC-ESI-HRMS; O2PLS metabolomics; Asteraceae; COX; LOX; HPLC-ESI-HRMS; O2PLS

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Chagas-Paula, D.A.; Zhang, T.; Da Costa, F.B.; Edrada-Ebel, R. A Metabolomic Approach to Target Compounds from the Asteraceae Family for Dual COX and LOX Inhibition. Metabolites 2015, 5, 404-430.

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