RT info:eu-repo/semantics/article T1 Exploring the anti-Chagas activity of Zanthoxylum chiloperone’s seedlings through metabolomics and protein-ligand docking A1 Vera de Bilbao, Ninfa A1 Giebelhaus, Ryland T. A1 Dias, Ryan P. A1 Ferreira de Paredes, María Elena A1 Martínez, Miguel A1 Velasco Carneros, Lorea A1 Nam, Seo Lin A1 de la Mata, Aidee Paulina A1 Maréchal, Jean-Didier A1 Adou, Ahissan Innocent A1 Yaluff Miranda, Gloria Cristina A1 Serna, María Elva A1 Sylvestre, Muriel A1 Torres, Agueda Susana A1 Schinini Vega, Alicia Petrona A1 Galeano, Ricardo A1 Fournet, Alain A1 Harynuk, James J. A1 Cebrian Torrejon, Gerardo A2 Universidad Nacional de Asunción. Instituto de Investigaciones en Ciencias de la Salud AB This publication reports the controlled cultivation of Zanthoxylum chiloperone var. angustifolium 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 Z. chiloperone 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 Z. chiloperone 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 Trypanosoma cruzi, cruzain protease, dihydroorotate dehydrogenase, lanosterol 14-alpha-demethylase, farnesyl diphosphate, and squalene synthases. PB Multidisciplinary Digital Publishing Institute YR 2025 FD 2025-03-18 LK http://hdl.handle.net/20.500.14066/4552 UL http://hdl.handle.net/20.500.14066/4552 LA eng NO de Bilbao, N. V., Giebelhaus, R. T., Dias, R. P., Ferreira, M. E., Martínez, M., Velasco Carneros, L., Nam, S. L., de la Mata, A. P., Maréchal, J. D., Adou, A. I., Yaluff, G., Serna, E., Sylvestre, M., Torres, S., Schinini, A., Galeano, R., Fournet, A., Harynuk, J. J., & Cebrián Torrejón, G. (2025). Exploring the anti-Chagas activity of Zanthoxylum chiloperone’s seedlings through metabolomics and protein-ligand docking. Plants, 14(6), Artículo 954. https://doi.org/10.3390/plants14060954 NO Correspondence: nverabilbao@gmail.com (N.V.d.B.); alain.fournet@orange.fr (A.F.) NO This article belongs to the Section Phytochemistry. NO Consejo Nacional de Ciencia y Tecnología DS MINDS@UW RD 12-abr-2025