O presente trabalho trouxe como principal resultado a lista de resíduos mais influentes no âmbito de favorecer ou não a energia de ligação entre o inibidor Bz- nKRR-H e a protease NS3-NS2B dos Flavivirus DV e WNV.
O conhecimento destes resíduos pode prover material para a formulação de um fármaco específico para tratar as infecções causada não somente pelo vírus da dengue mas também pelo vírus da Febre do Nilo Ocidental. Esta observação sugere que pode ser possível desenvolver um novo inibidor peptídico ou até mesmo melhorar o desempenho de Bz-nKRR-H para conter cadeias laterais polares sintéticos nas suas regiões IV e/ou V para imitar estas interações, como sugerido no trabalho de Noble (2012).
Foi observado que as regiões IV e V no WNV exibiram alta especificidade de aminoácidos dibásicos, tais como arginina ou histidina, ao passo que as posições do substrato I, II e III mostraram uma atividade menor, quando comparada com as posições IV e V. Uma alternativa seria postular um inibidor que tivesse um nível maior de interação com as regiões I e II e portanto, uma maior afinidade e especificidade com a protease NS3-NS2B.
Mais ainda, a grande quantidade de resíduos conservados na protease de um flavivírus para o outro (TOMLINSON & WATOWICH, 2010) sugere que pode ser desenvolvido um fármaco inibidor de ação eficaz a infecções de Flavivirus diferentes. Nos resultados comparativos pode-se observar a uma alta semelhança estrutural entre as proteases NS3-NS2B do vírus da Dengue e Febre do Nilo Ocidental, com até mesmo resíduos iguais realizando as mesmas interações com o inibidor. O presente trabalho trouxe perspectivas renovadas no que diz respeito a interação da protease NS3-NS2B com o inibidor Bz-nKRR-H.
Com a lista de resíduos que mais interagem, pode-se ainda inferir quais melhorias podem ser feitas no inibidor Bz-nKRR-H, a fim de aumentar sua eficácia na
interação com a protease NS3-NS2B dos dois Flavivirus, podendo-se, a partir destes resultados, formular-se uma comparação inédita da interação das proteases NS3-NS2B com um inibidor peptídico para Febre do Nilo Ocidental e Dengue.
Na ausência de um medicamento terapêutico eficiente no mercado, o desenvolvimento de inibidores de moléculas pequenas contra a replicação e maturação destes vírus podem ser consideradas como uma rota promissora para o seu tratamento.
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