Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV.
Basic Information
ID: ALA4002613
Journal: Bioorg Med Chem Lett
Title: Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV.
Authors: Bassetto M, Leyssen P, Neyts J, Yerukhimovich MM, Frick DN, Brancale A.
Abstract: A ligand-based approach was applied to screen in silico a library of commercially available compounds, with the aim to find novel inhibitors of the HCV replication starting from the study of the viral NS3 helicase. Six structures were selected for evaluation in the HCV subgenomic replicon assay and one hit was found to inhibit the HCV replicon replication in the low micromolar range. A small series of new pyrrolone compounds was designed and synthesised, and novel structures were identified with improved antiviral activity.
CiteXplore: 28089348
DOI: 10.1016/j.bmcl.2016.12.087
Patent ID: ┄