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Chemoinformatic Analysis of Selected Cacalolides from Psacalium decompositum (A. Gray) H. Rob. & Brettell and Psacalium peltatum (Kunth) Cass. and Their Effects on FcεRI-Dependent Degranulation in Mast Cells

1
Pharmacobiology Department, Center for Research and Advanced Studies of the National Polytechnic Institute, Mexico City 14330, Mexico
2
Department of Natural Products, Institute of Chemistry, National Autonomous University of Mexico, Mexico City 04510, Mexico
3
Department of Basic Research, National Institute of Geriatrics, Ministry of Health, Mexico City 10200, Mexico
4
Botanical Garden, Institute of Biology, National Autonomous University of Mexico, Mexico City 04510, Mexico
5
Division of Research, Faculty of Medicine, National Autonomous University of Mexico, Mexico City 04510, Mexico
6
Department of Biomedical Sciences, Faculty of High Studies Zaragoza, National Autonomous University of Mexico, Mexico City 09230, Mexico
*
Authors to whom correspondence should be addressed.
These authors contributed equally to this work.
Academic Editor: Alessandra Guerrini
Molecules 2018, 23(12), 3367; https://doi.org/10.3390/molecules23123367
Received: 6 November 2018 / Revised: 6 December 2018 / Accepted: 15 December 2018 / Published: 19 December 2018
(This article belongs to the Special Issue Biological Activities of Plant Secondary Metabolites)
Cacalolides are a kind of sesquiterpenoids natural compounds synthesized by Psacalium decompositum (A. Gray) H. Rob. & Brettell or Psacalium peltatum (Kunth) Cass. Antioxidant and hypoglycemic effects have been found for cacalolides such as cacalol, cacalone or maturine, however, their effects on inflammatory processes are still largely unclear. The main aim of this study was to investigate the biological activities of secondary metabolites from P. decompositum and P. peltatum through two approaches: (1) chemoinformatic and toxicoinformatic analysis based on ethnopharmacologic background; and (2) the evaluation of their potential anti-inflammatory/anti-allergic effects in bone marrow-derived mast cells by IgE/antigen complexes. The bioinformatics properties of the compounds: cacalol; cacalone; cacalol acetate and maturin acetate were evaluated through Osiris DataWarrior software and Molinspiration and PROTOX server. In vitro studies were performed to test the ability of these four compounds to inhibit antigen-dependent degranulation and intracellular calcium mobilization, as well as the production of reactive oxygen species in bone marrow-derived mast cells. Our findings showed that cacalol displayed better bioinformatics properties, also exhibited a potent inhibitory activity on IgE/antigen-dependent degranulation and significantly reduced the intracellular calcium mobilization on mast cells. These data suggested that cacalol could reduce the negative effects of the mast cell-dependent inflammatory process. View Full-Text
Keywords: Psacalium decompositum; Psacalium peltatum; cacalol; calcium channels; maturin; reactive oxygen species; inflammation Psacalium decompositum; Psacalium peltatum; cacalol; calcium channels; maturin; reactive oxygen species; inflammation
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Castillo-Arellano, J.I.; Gómez-Verjan, J.C.; Rojano-Vilchis, N.A.; Mendoza-Cruz, M.; Jiménez-Estrada, M.; López-Valdés, H.E.; Martínez-Coria, H.; Gutiérrez-Juárez, R.; González-Espinosa, C.; Reyes-Chilpa, R.; Arrieta-Cruz, I. Chemoinformatic Analysis of Selected Cacalolides from Psacalium decompositum (A. Gray) H. Rob. & Brettell and Psacalium peltatum (Kunth) Cass. and Their Effects on FcεRI-Dependent Degranulation in Mast Cells. Molecules 2018, 23, 3367.

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