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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Design of new selective inhibitors of HCV NS5B

Design of new selective inhibitors of HCV NS5B

Maroua, Fattouche
Salah, Belaidi

Paperback

Chemistry

ISBN10: 3639665376
ISBN13: 9783639665376
Publisher: Scholars' Press
Published: Feb 7 2025
Pages: 52
Weight: 0.18
Height: 0.12 Width: 6.00 Depth: 9.00
Language: English
In this study, a QSAR investigation was carried out on a set of thirty-eight isothiazole derivatives targeting NS5B inhibition and thus the treatment of hepatitis C virus (HCV). The research methodology used various statistical techniques, including multiple linear regression (MLR) and artificial neural networks (ANN), to develop models that were satisfactory in terms of internal and external validation parameters, indicating their reliability in predicting the activity of new inhibitors. As a result, a series of potent NS5B inhibitors were designed and their inhibitory potential was confirmed by molecular docking simulations. In addition, these newly formulated compounds exhibited favourable ADMET characteristics, with molecular dynamics studies revealing a stable energy state and dynamic equilibrium. Our work highlights the importance of NS5B inhibition for the treatment of HCV.

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