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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Capped dipeptide phenethylamide inhibitors of the HCV NS3 protease
Emanuela Nizi1, Uwe Koch, Jesus M Ontoria
1Department of Chemistry, IRBM, MRL Rome, Via Pontina Km 30,600, 00040 Pomezia, Rome, Italy.
Abstract:
The N-terminal aminoacid of phenethylamide tripeptide inhibitors of the hepatitis C virus NS3 protease can be replaced with an alpha-hydroxy acid to obtain more 'drug like' inhibitors with low micromolar activity. The preferred S-configuration of the capping residue can be explained by molecular modeling studies.
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