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Reposicionamento de fármacos para encontrar inibidores da protease do VIH-1

Reposicionamento de fármacos para encontrar inibidores da protease do VIH-1

Akachukwu Ibezim / Ngozi Nwodo / Raphael Onuku

44,91 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2024
Materia
Farmacología
ISBN:
9786208046712
44,91 €
IVA incluido
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Sobre IBD

A protease do VIH-1, um homodímero, tem atraído o interesse de muitos investigadores devido ao seu papel essencial na replicação do VIH e nas actividades funcionais subsequentes. A protease hidrolisa diferentes proteínas virais na sua forma funcional para ajudar a amadurecer o vírus e aumentar ainda mais a propagação da doença. O presente fluxo de trabalho de investigação foi concebido para identificar potenciais inibidores da protease do VIH-1 a partir de uma biblioteca de medicamentos aprovados (1 428 compostos), utilizando técnicas computacionais de conceção assistida por computador (CADD). A potência inibitória do conjunto de dados foi avaliada utilizando as energias de ligação teóricas mais baixas do complexo alvo-ligando. Durante o processo deste trabalho, foram utilizados software e ferramentas como o Molecular Operating Environment (MOE), o AutoDock Vina e o Discovery Studio utilizados em CADD. Este estudo sugere a possibilidade de reorientar alguns fármacos actuais (da biblioteca) para terem um potencial efeito inibidor da protease do VIH.

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