Natural Products from Annonaceae as Potential Antichagasic Agents.

Autor: Barros de Menezes RP; Programa de Pós-Graduação de Produtos Naturais e Sintéticos Bioativos, Universidade federal da Paraíba, 58051-900, João Pessoa, PB, Brazil., Fechine Tavares J; Programa de Pós-Graduação de Produtos Naturais e Sintéticos Bioativos, Universidade federal da Paraíba, 58051-900, João Pessoa, PB, Brazil., Kato MJ; Instituto de Química, Universidade de São Paulo, 05508-000, São Paulo, SP, Brazil., da Rocha Coelho FA; Laboratório de Doenças Infecciosas, Universidade Federal do Delta do Parnaíba, 64202-020, Parnaíba, PI, Brazil., Sousa Dos Santos AL; Laboratório de Doenças Infecciosas, Universidade Federal do Delta do Parnaíba, 64202-020, Parnaíba, PI, Brazil., da Franca Rodrigues KA; Laboratório de Doenças Infecciosas, Universidade Federal do Delta do Parnaíba, 64202-020, Parnaíba, PI, Brazil., Sessions ZL; Molecular Modeling Lab, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, 27599, NC, USA., Muratov EN; Molecular Modeling Lab, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, 27599, NC, USA., Scotti L; Programa de Pós-Graduação de Produtos Naturais e Sintéticos Bioativos, Universidade federal da Paraíba, 58051-900, João Pessoa, PB, Brazil., Tullius Scotti M; Programa de Pós-Graduação de Produtos Naturais e Sintéticos Bioativos, Universidade federal da Paraíba, 58051-900, João Pessoa, PB, Brazil.
Jazyk: angličtina
Zdroj: ChemMedChem [ChemMedChem] 2022 Aug 03; Vol. 17 (15), pp. e202200196. Date of Electronic Publication: 2022 Jul 01.
DOI: 10.1002/cmdc.202200196
Abstrakt: Chagas disease, a neglected tropical disease, is endemic in 21 Latin American countries and particularly prevalent in Brazil. Chagas disease has drawn more attention in recent years due to its expansion into non-endemic areas. The aim of this work was to computationally identify and experimentally validate the natural products from an Annonaceae family as antichagasic agents. Through the ligand-based virtual screening, we identified 57 molecules with potential activity against the epimastigote form of T. cruzi. Then, 16 molecules were analyzed in the in vitro study, of which, six molecules displayed previously unknown antiepimastigote activity. We also evaluated these six molecules for trypanocidal activity. We observed that all six molecules have potential activity against the amastigote form, but no molecules were active against the trypomastigote form. 13-Epicupressic acid seems to be the most promising, as it was predicted as an active compound in the in silico study against the amastigote form of T. cruzi, in addition to having in vitro activity against the epimastigote form.
(© 2022 Wiley-VCH GmbH.)
Databáze: MEDLINE
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