ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B

ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B

<b>Background/Objectives:</b> RNA polymerase (NS5B), serves as a crucial target for pharmaceutical interventions aimed at combating the hepatitis C virus (HCV), which poses significant health challenges worldwide. The present research endeavors to explore and implement a variety of advan...

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Main Authors: Maroua Fattouche, Salah Belaidi, Oussama Abchir, Walid Al-Shaar, Khaled Younes, Muneerah Mogren Al-Mogren, Samir Chtita, Fatima Soualmia, Majdi Hochlaf
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Pharmaceuticals
Subjects:
polymerase NS5B
isothiazole derivatives
ANN-QSAR
ADMET
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/1424-8247/17/12/1712
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