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Conceção de novos inibidores selectivos do HCV NS5B

Conceção de novos inibidores selectivos do HCV NS5B

Belaidi Salah / Fattouche Maroua

70,65 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786208753245
70,65 €
IVA incluido
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Sobre IBD

Neste estudo, foi efectuada uma investigação QSAR sobre um conjunto de trinta e oito derivados isotiazólicos visando a inibição do NS5B e, consequentemente, o tratamento do vírus da hepatite C (VHC). A metodologia de investigação utilizou várias técnicas estatísticas, incluindo regressão linear múltipla (MLR) e redes neuronais artificiais (ANN), para desenvolver modelos satisfatórios em termos de parâmetros de validação internos e externos, indicando a sua fiabilidade na previsão da atividade de novos inibidores. Como resultado, foi concebida uma série de inibidores potentes da NS5B e o seu potencial inibitório foi confirmado por simulações de acoplamento molecular. Além disso, estes compostos recém-formulados apresentaram caraterísticas ADMET favoráveis, com estudos de dinâmica molecular que revelaram um estado de energia estável e um equilíbrio dinâmico. O nosso trabalho destaca a importância da inibição da NS5B para o tratamento do HCV.

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Otros libros del autor

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