Exploring the Anti-Chagas Activity of <i>Zanthoxylum chiloperone</i>’s Seedlings Through Metabolomics and Protein–Ligand Docking
2025
Ninfa Vera de Bilbao | Ryland T. Giebelhaus | Ryan P. Dias | Maria Elena Ferreira | Miguel Martínez | Lorea Velasco-Carneros | Seo Lin Nam | A. Paulina de la Mata | Jean-Didier Maréchal | Ahissan Innocent Adou | Gloria Yaluff | Elva Serna | Muriel Sylvestre | Susana Torres | Alicia Schinini | Ricardo Galeano | Alain Fournet | James J. Harynuk | Gerardo Cebrián-Torrejón
This publication reports the controlled cultivation of <i>Zanthoxylum chiloperone</i> var. <i>angustifolium</i> Engl. (Rutaceae) in several growth substrates under controlled greenhouse conditions. This plant is well-known for its anti-Chagas (trypanocidal) activity, related to the presence of several β-carboline alkaloids. The metabolomic study of <i>Z. chiloperone</i> seedlings over two years of growth (2018–2020) was performed using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC × GC-TOFMS). The canthin-6-one alkaloids, canthin-6-one and 5-methoxy-canthin-6-one, were putatively identified in <i>Z. chiloperone</i> extracts. Finally, in vitro and in silico studies of trypanocidal activity were performed, suggesting that canthin-6-one alkaloids could interact with the main pharmacological targets against <i>Trypanosoma cruzi</i>, cruzain protease, dihydroorotate dehydrogenase, lanosterol 14-alpha-demethylase, farnesyl diphosphate, and squalene synthases.
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