Metabolomics, Molecular Networking and Phytochemical Investigation of Psiadia dentata (Cass.) DC., Endemic to Reunion Island: Discovery of Novel Bioactive Molecules

The genus <i>Psiadia</i> (Asteraceae), widely distributed in Madagascar and the Mascarene Islands (Mauritius, La Réunion, Rodrigues), is traditionally used to treat bronchitis, asthma, colds, abdominal pain, and other inflammatory disorders. However, few studies have scientifically validated these traditional medicinal uses. To assess <i>P. dentata</i> as a valuable source of bioactive natural products, a combined <sup>1</sup>H NMR-based metabolomic, molecular networking, and phytochemical study was conducted. Multivariate analysis (PLS-DA) of crude extracts from <i>Psiadia</i> species collected on Reunion Island enabled rapid discrimination of active extracts from <i>P. dentata</i> and revealed two methoxylated flavonoids and one coumarin as metabolites correlated with its antiplasmodial and anti-inflammatory activities. Additionally, UHPLC-DAD-ESI-QTOF-MS/MS molecular networking approach enabled detailed chemical profiling of this species, allowing the annotation of 25 compounds (<b>1</b>-<b>25</b>) in this species. Subsequent phytochemical investigation of <i>P. dentata</i> leaves led to the isolation and identification of 25 metabolites, including nine new diterpenes (<b>26</b>-<b>34</b>), one new coumarin (<b>35</b>), and 15 known compounds (<b>1</b>-<b>8</b>, <b>11</b>, <b>18</b>, <b>19</b> and <b>36</b>-<b>39</b>) from the diterpenoid, flavonoid, and coumarin families. The structures of the new compounds were elucidated using spectroscopic methods, including extensive 1D and 2D NMR and HRESIMS analyses. Biological evaluation of the isolated compounds showed that compounds <b>1</b>, <b>7</b>, <b>26</b> and <b>27</b> showed antiplasmodial activity against <i>Plasmodium falciparum</i> (3D7 strain, IC<sub>50</sub> = 7.25-13.46 μM). Compounds <b>7</b>, <b>26</b>, <b>27</b>, <b>31</b> and <b>32</b> inhibited nitric oxide production (IC<sub>50</sub> = 0.87-27.71 μM), indicating potential anti-inflammatory effects. Only compound <b>1</b> displayed moderate cytotoxicity against HepG2 and HT29 cancer cell lines (IC<sub>50</sub> = 25.67 and 18.35 μM, respectively).

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Journal
Molecules
Published
2026-03-13
DOI
https://doi.org/10.3390/molecules31060973
Primary Topic
Sesquiterpenes and Asteraceae Studies
Type
article
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article

Metabolomics, Molecular Networking and Phytochemical Investigation of Psiadia dentata (Cass.) DC., Endemic to Reunion Island: Discovery of Novel Bioactive Molecules

Keshika Mahadeo, Isabelle Grondin, Lúcia Mamede, Hippolyte Kodja et al.
Molecules
Sesquiterpenes and Asteraceae Studies
article

Metabolomics, Molecular Networking and Phytochemical Investigation of Psiadia dentata (Cass.) DC., Endemic to Reunion Island: Discovery of Novel Bioactive Molecules

Keshika Mahadeo, Isabelle Grondin, Lúcia Mamede, Hippolyte Kodja, Gaëtan Herbette, Carole Di Giorgio, Lantomalala Elsa Razafindrabenja, Béatrice Baghdikian, Patricia Clerc, Michel Frederich, Anne Gauvin-Bialecki
article en

Abstract

The genus <i>Psiadia</i> (Asteraceae), widely distributed in Madagascar and the Mascarene Islands (Mauritius, La Réunion, Rodrigues), is traditionally used to treat bronchitis, asthma, colds, abdominal pain, and other inflammatory disorders. However, few studies have scientifically validated these traditional medicinal uses. To assess <i>P. dentata</i> as a valuable source of bioactive natural products, a combined <sup>1</sup>H NMR-based metabolomic, molecular networking, and phytochemical study was conducted. Multivariate analysis (PLS-DA) of crude extracts from <i>Psiadia</i> species collected on Reunion Island enabled rapid discrimination of active extracts from <i>P. dentata</i> and revealed two methoxylated flavonoids and one coumarin as metabolites correlated with its antiplasmodial and anti-inflammatory activities. Additionally, UHPLC-DAD-ESI-QTOF-MS/MS molecular networking approach enabled detailed chemical profiling of this species, allowing the annotation of 25 compounds (<b>1</b>-<b>25</b>) in this species. Subsequent phytochemical investigation of <i>P. dentata</i> leaves led to the isolation and identification of 25 metabolites, including nine new diterpenes (<b>26</b>-<b>34</b>), one new coumarin (<b>35</b>), and 15 known compounds (<b>1</b>-<b>8</b>, <b>11</b>, <b>18</b>, <b>19</b> and <b>36</b>-<b>39</b>) from the diterpenoid, flavonoid, and coumarin families. The structures of the new compounds were elucidated using spectroscopic methods, including extensive 1D and 2D NMR and HRESIMS analyses. Biological evaluation of the isolated compounds showed that compounds <b>1</b>, <b>7</b>, <b>26</b> and <b>27</b> showed antiplasmodial activity against <i>Plasmodium falciparum</i> (3D7 strain, IC<sub>50</sub> = 7.25-13.46 μM). Compounds <b>7</b>, <b>26</b>, <b>27</b>, <b>31</b> and <b>32</b> inhibited nitric oxide production (IC<sub>50</sub> = 0.87-27.71 μM), indicating potential anti-inflammatory effects. Only compound <b>1</b> displayed moderate cytotoxicity against HepG2 and HT29 cancer cell lines (IC<sub>50</sub> = 25.67 and 18.35 μM, respectively).

MoleculesVol. 31(6)
Centre National de la Recherche Scientifique (FR), Institut de Chimie des Substances Naturelles (FR), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (FR), University of Liège (BE), Université d'Avignon et des Pays de Vaucluse (FR), Université de Montpellier (FR), Aix-Marseille Université (FR), University of Reunion Island (RE), Université Paris-Saclay (FR), Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement (FR), Institut de Neurobiologie de la Méditerranée (FR), Institut Agro Montpelier (FR), Centrale Méditerranée (FR), Institut de Recherche pour le Développement (FR)
Aix-Marseille Université, Centre National de la Recherche Scientifique, Université de Liège, Institut écologie et environnement
Peace, Justice and strong institutions
Openalex Percentile: Top 22%
Sesquiterpenes and Asteraceae Studies
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