Prospecção e identificação in silico de peptídeos bioativos com potencial antifúngico a partir da Handroanthus impetiginosus
DOI:
https://doi.org/10.55892/jrg.v9i20.3240Palabras clave:
Peptídeos antimicrobianos, Handroanthus impetiginosus, prospecção in silico, bioinformáticaResumen
A resistência antimicrobiana representa um dos principais desafios contemporâneos para a saúde pública global, impulsionando a busca por novas moléculas bioativas com potencial terapêutico. Entre as alternativas promissoras, destacam-se os peptídeos antimicrobianos (AMPs) de origem vegetal, especialmente as defensinas, devido à sua ampla atividade antimicrobiana, elevada estabilidade estrutural e potencial biotecnológico. Neste estudo, foi aplicado um pipeline bioinformático para prospecção in silico de peptídeos do tipo defensina no proteoma de Handroanthus impetiginosus. Inicialmente, foi construído um banco de referência contendo 392 defensinas vegetais previamente caracterizadas, obtidas no UniProt, utilizado posteriormente em análises de similaridade por BLASTp contra o proteoma completo da espécie. As análises resultaram na identificação de 4.819 sequências com similaridade a defensinas vegetais, as quais foram submetidas à filtragem estrutural por meio da identificação de domínios conservados utilizando o Batch CD-Search. Essa etapa permitiu selecionar 18 sequências contendo domínios característicos de defensinas, incluindo Gamma-thionin, Knot-1, Knot-1 superfamily e Defensin-like. A caracterização físico-química revelou predominância de proteínas com caráter catiônico, elevados valores de ponto isoelétrico e índices GRAVY negativos, compatíveis com propriedades típicas de AMPs. A predição de peptídeos sinal reduziu o conjunto para sete sequências com arquitetura compatível com defensinas maduras secretadas. Todas as sequências selecionadas foram classificadas como peptídeos antimicrobianos com probabilidade máxima pelo Antimicrobial Peptide Scanner v2. Adicionalmente, as análises estruturais realizadas no HeliQuest evidenciaram hidrofobicidade moderada e organização anfipática compatível com interação com membranas biológicas. Em conjunto, os resultados demonstram que o proteoma de H. impetiginosus representa uma fonte promissora de defensinas vegetais com potencial antimicrobiano. Além disso, a estratégia computacional empregada mostrou-se eficiente para identificação e priorização de candidatos biologicamente plausíveis, fornecendo uma base robusta para futuras validações experimentais e aplicações biotecnológicas.
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