Análise in silico da suposta ausência de sinergismo terapêutico na associação da hidroxicloroquina e azitromicina na COVID-19
DOI:
https://doi.org/10.33448/rsd-v9i11.9712Palavras-chave:
ACE2; Azitromicina; CD147; COVID-19; Hidroxicloroquina; Simulação de Acoplamento MolecularResumo
A associação terapêutica entre Hidroxicloroquina (HCQ) e Azitromicina (AZI) foi considerada como terapia para COVID-19, no entanto, não está claro se uma ação sinérgica ocorre. Para entender melhor sobre essa associação terapia esse trabalho teve como objetivo analisar uma interação do HCQ e AZI com receptores humanos no silico. Uma análise realizada por meio de simulação de acoplamento molecular. As interações definidas entre um HCQ e a AZI com seus os prováveis receptores no organismo humano, ACE2 e CD147, foram analisadas no software AutoDock Vina e os resultados foram obtidos no software PyMol. Os confórmeros HCQ-ACE2 e AZI-CD147 foram formados com energia de afinidade diminuem de -7,0 Kcal / mol e -7,8 Kcal / mol, respectivamente. Embora a interação entre HCQ e ACE2 possa prevenir a invasão das células pelo vírus, essa interação pode levar a efeitos colaterais. Por sua vez, uma interação AZI-CD147 também pode atuar na prevenção da entrada do vírus nas células. Além disso, de acordo com os dados in silico, a interação AZI-CD147 ocorreria de forma mais eficaz, o que leva a crer que a ação terapêutica do HCQ no COVID-19 não é tão relevante à ação do AZI e não haveria sinergismo.
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Copyright (c) 2020 Bruna Fernandes; Luan Gabriel Pinto; Ériky Fernandes Guimarães Silva; Angélica De Fátima Marcussi ; Anderson Dillmann Groto; Kádima Nayara Teixeira
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