IVACHTCHENKO AV, Ivanenkov YA, Mitkin OD, Yamanush. A novel influenza virus neuraminidase inhibitor AV5027. Antiviral Res. 2013 Oct 24. pii: S0166-3542
A medium-sized focused library of novel Oseltamivir structural analogues with promising antiviral activity was successfully synthesized using a combinatorial approach. The synthesized compounds were then thoroughly evaluated in neuraminidase- and cell-based assays. As a result, (3R,4R,5S)-4-(2,2-difluoroacetylamino)-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid (AV5027) was identified as novel Hit-compound with picomolar potency. QSAR analysis was carried out based on the obtained biological data. Computational modeling was performed using a 3D-molecular docking approach and classical regression analysis. The developed integral model demonstrated a sufficient prediction accuracy and tolerance to evaluate compounds based on their potential activity against neuraminidase (NA) at least within the scaffold. Several compounds from the series can be reasonably regarded as promising anti-influenza drug-candidates.
See Also:
Latest articles in those days:
- [preprint] Emergence and interstate spread of highly pathogenic avian influenza A(H5N1) in dairy cattle 23 hours ago
- Modelling the transmission dynamics of H9N2 avian influenza viruses in a live bird market 23 hours ago
- CD8+ T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age 3 days ago
- Surveillance for highly pathogenic avian influenza A (H5N1) in a raptor rehabilitation center-2022 4 days ago
- [preprint]Detection of hemagglutinin H5 influenza A virus sequence in municipal wastewater solids at wastewater treatment plants with increases in influenza A in spring, 2024 4 days ago
[Go Top] [Close Window]