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Bioorg Med Chem Lett ; 29(12): 1459-1462, 2019 06 15.
Artigo em Inglês | MEDLINE | ID: mdl-31000155

RESUMO

Chagas disease represents one of several neglected diseases with a reduced number of chemotherapeutical drugs including the highly toxic compounds benznidazole and nifurtimox. In this sense, natural products represent an import scaffold for the discovery of new biologically active compounds, in which chalcones are promising representatives due to their antitrypanosomal potential. In this work, a series of 36 chalcone derivatives were synthesized and tested against trypomastigotes of Trypanosoma cruzi. In addition, a detailed investigation on their molecular features was performed. The obtained results suggest that certain molecular features are fundamental for an efficient antitrypanosomal potential of chalcones, such as allylic groups, α,ß-unsaturated carbonyl system, and aromatic hydroxyl groups. These results were obtained based on the interpretation of machine-learning and multivariate statistical methods, which revealed the essential characteristics of chalcone prototypes against trypomastigotes of T. cruzi.


Assuntos
Chalconas/uso terapêutico , Trypanosoma cruzi/efeitos dos fármacos , Animais , Chalconas/farmacologia , Análise Multivariada , Relação Estrutura-Atividade
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