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Open AccessArticle

Discovery of Lipid Peroxidation Inhibitors from Bacopa Species Prioritized through Multivariate Data Analysis and Multi-Informative Molecular Networking

1
Department of Pharmaceutical Chemistry and Pharmacognosy, Faculty of Pharmaceutical Sciences and Center of Excellence for Innovation in Chemistry, Naresuan University, Phitsanulok 65000, Thailand
2
School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, CMU Rue Michel Servet 1, 1211 Geneva 4, Switzerland
3
Science Lab Center, Faculty of Science, Naresuan University, Phitsanulok 65000, Thailand
4
Division of Pharmaceutical Sciences, School of Pharmaceutical Sciences, University of Phayao, Phayao 56000, Thailand
*
Authors to whom correspondence should be addressed.
Academic Editor: Pinarosa Avato
Molecules 2019, 24(16), 2989; https://doi.org/10.3390/molecules24162989
Received: 29 June 2019 / Revised: 14 August 2019 / Accepted: 15 August 2019 / Published: 17 August 2019
(This article belongs to the Special Issue Natural Products and Drug Discovery)
A major goal in the discovery of bioactive natural products is to rapidly identify active compound(s) and dereplicate known molecules from complex biological extracts. The conventional bioassay-guided fractionation process can be time consuming and often requires multi-step procedures. Herein, we apply a metabolomic strategy merging multivariate data analysis and multi-informative molecular maps to rapidly prioritize bioactive molecules directly from crude plant extracts. The strategy was applied to 59 extracts of three Bacopa species (B. monnieri, B. caroliniana and B. floribunda), which were profiled by UHPLC-HRMS2 and screened for anti-lipid peroxidation activity. Using this approach, six lipid peroxidation inhibitors 16 of three Bacopa spp. were discovered, three of them being new compounds: monnieraside IV (4), monnieraside V (5) and monnieraside VI (6). The results demonstrate that this combined approach could efficiently guide the discovery of new bioactive natural products. Furthermore, the approach allowed to evidence that main semi-quantitative changes in composition linked to the anti-lipid peroxidation activity were also correlated to seasonal effects notably for B. monnieri. View Full-Text
Keywords: metabolomics; multivariate data analysis; molecular network; Bacopa monnieri; LC-MS metabolomics; multivariate data analysis; molecular network; Bacopa monnieri; LC-MS
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MDPI and ACS Style

Saesong, T.; Allard, P.-M.; Ferreira Queiroz, E.; Marcourt, L.; Nuengchamnong, N.; Temkitthawon, P.; Khorana, N.; Wolfender, J.-L.; Ingkaninan, K. Discovery of Lipid Peroxidation Inhibitors from Bacopa Species Prioritized through Multivariate Data Analysis and Multi-Informative Molecular Networking. Molecules 2019, 24, 2989.

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