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Projektowanie nowych selektywnych inhibitorów HCV NS5B

Projektowanie nowych selektywnych inhibitorów HCV NS5B

Belaidi Salah / Fattouche Maroua

70,65 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786208753238
70,65 €
IVA incluido
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W niniejszym badaniu przeprowadzono badanie QSAR na zestawie trzydziestu ośmiu pochodnych izotiazolu ukierunkowanych na hamowanie NS5B, a tym samym leczenie wirusa zapalenia wątroby typu C (HCV). Metodologia badawcza wykorzystywała różne techniki statystyczne, w tym wielokrotną regresję liniową (MLR) i sztuczne sieci neuronowe (ANN), w celu opracowania modeli, które były zadowalające pod względem wewnętrznych i zewnętrznych parametrów walidacji, wskazując na ich niezawodność w przewidywaniu aktywności nowych inhibitorów. W rezultacie zaprojektowano serię silnych inhibitorów NS5B, a ich potencjał hamujący został potwierdzony przez symulacje dokowania molekularnego. Ponadto, te nowo opracowane związki wykazywały korzystne właściwości ADMET, a badania dynamiki molekularnej ujawniły stabilny stan energetyczny i równowagę dynamiczną. Nasza praca podkreśla znaczenie inhibicji NS5B w leczeniu HCV.

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