Screening in vitro e in silico de amidas contra as formas sexuadas do Plasmodium falciparum (original) (raw)

Abstract

Objetivo: Avaliar a atividade desses compostos nas formas sexuadas do Plasmodium falciparum e determinar as propriedades farmacocinéticas teóricas dos compostos utilizando ensaios in silico. Métodos: Para a avaliação da inibição das formas exflagelantes foi utilizada a cepa de Plasmodium falciparum NF54 para a produção de gametócitos in vitro. Para os testes in silico foi utilizado o programa ADMETlab buscando identificar as propriedades farmacocinéticas teóricas de todos os compostos. Resultados: A série de amidas naturais e sintéticas testadas não se destacaram como possíveis bloqueadores de transmissão da malária. Porém, mostraram inibição moderada no bloqueio da exflagelação. Os resultados do screening virtual permitiram conhecer e explorar as propriedades farmacocinéticas teóricas interessantes dessa classe de compostos, como a permeabilidade moderada as células Caco-2 do composto 14f; as substâncias mostram-se nocivas mais não letais (DL50); somente o composto 14f pode causar ...

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