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Conception de nouveaux inhibiteurs sélectifs de la NS5B du VHC

Conception de nouveaux inhibiteurs sélectifs de la NS5B du VHC

Belaidi Salah / Fattouche Maroua

70,65 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786208753214
70,65 €
IVA incluido
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Dans cette étude, une recherche QSAR a été menée sur un ensemble de trente-huit dérivés d’isothiazoles visant l’inhibition de la NS5B et donc le traitement du virus de l’hépatite C (VHC). La méthodologie de recherche a utilisé diverses techniques statistiques, y compris la régression linéaire multiple (MLR) et les réseaux neuronaux artificiels (ANN), pour développer des modèles satisfaisants en termes de paramètres de validation internes et externes, indiquant leur fiabilité pour prédire l’activité de nouveaux inhibiteurs. En conséquence, une série d’inhibiteurs puissants de la NS5B a été conçue et leur potentiel inhibiteur a été confirmé par des simulations d’amarrage moléculaire. En outre, ces composés nouvellement formulés présentaient des caractéristiques ADMET favorables, les études de dynamique moléculaire révélant un état énergétique stable et un équilibre dynamique. Nos travaux soulignent l’importance de l’inhibition de la NS5B pour le traitement du VHC.

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