Synthesis, Molecular Modeling, and Antiviral Activity of Novel Triazole Nucleosides and Their Analogs

Abstract

Two new pharmacophoric models incorporating 1,2,3-triazole glycosides have been synthesized in good yields via 1,3-dipolar cycloaddition reaction based on the click strategy. Copper catalyzed click dipolar cycloaddition of the acetylenic centers with azido compounds leads to the targeted compounds. Docking of the designed structures into Influenza virus neuraminidase (NA) active site is studied. Three molecular structures exhibit good fitting inside the binding site of the protein molecule. Antiviral activity against H5N1 avian influenza virus strain A/Egypt/M7217B/2013 is tested, and a number of compounds demonstrate high inhibition activity.