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:
- Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation 2 days ago
- Risk assessment of a highly pathogenic H5N1 influenza virus from mink 2 days ago
- Detection of clade 2.3.4.4b highly pathogenic H5N1 influenza virus in New York City 2 days ago
- Sequence-based epitope mapping of high pathogenicity avian influenza H5 clade 2.3.4.4b in Latin America 3 days ago
- Guanylate-binding protein 1 inhibits inflammatory factors produced by H5N1 virus through Its GTPase activity 3 days ago
[Go Top] [Close Window]