Análise computacional da captação de fosfato em Staphylococcus aureus e prospecção de potenciais inibidores

Autores

DOI:

https://doi.org/10.24933/e-usf.v9i1.466

Palavras-chave:

Docagem, Bioinformática, Resistência bacteriana

Resumo

Staphylococcus aureus é um patógeno oportunista associado a diversas infecções e à crescente resistência a antibióticos. O fosfato é essencial para processos celulares e, em S. aureus, sua captação ocorre por meio de transportadores do tipo ABC, nos quais a proteína SBP tem papel fundamental. Este estudo teve como objetivo identificar e caracterizar a proteína SBP de S. aureuspor meio de abordagens bioinformáticas, visando a identificação de possíveis ligantes capazes de interferir em sua função. Foram utilizados bancos de dados, plataformas online e ferramentas de bioinformática para caracterização estrutural e modelagem da proteína e seus ligantes. A análise revelou um transportador completo, sendo a proteína PstS responsável pela ligação e captação do fosfato. Sua estrutura, típica de proteínas SBP do tipo II, apresenta dois resíduos chave na interação com o fosfato: D116 e T171. A docagem molecular indicou que sulfato, nitrato e diversas moléculas fosfatadas apresentam afinidade com a PstS, com valores negativos de energia livre. Os resultados sugerem que compostos contendo fosfato podem interagir com a PstS, potencialmente interferindo no transporte de fosfato. Esses achados abrem caminho para o desenvolvimento de moléculas que comprometam a captação de fosfato por S. aureus, reduzindo sua viabilidade e potencial infeccioso.

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Publicado

2025-04-22

Como Citar

Nascimento Chaves, B., Turner Lima de de Souza, T., & Cremonesi, A. (2025). Análise computacional da captação de fosfato em Staphylococcus aureus e prospecção de potenciais inibidores. Ensaios USF, 9(1). https://doi.org/10.24933/e-usf.v9i1.466

Edição

v. 9 n. 1 (2025)

Seção

Ciências Biológicas e da Saúde

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