b Initio and DFT Investigation of Effect of Substituent at the C7 Position of 4-Amino-DANA Sialidase Inhibitor

Sialic acid is the active site of neuraminidase protein, eventually it cleaves form its substrate via sialsyl cation intermediate and proliferates viral infection to other cells. On account weak binding affinity between receptor, communicates cells leads mortality humans. DANA first sialidase inhibitor formed by dehydration C2 hydroxyl group sialic acid. The replacement at C4 position an amino drastically increases results 4-amino-DANA inhibitor, which potent than parent DANA. Crystal structure shows that several sites remain free should be explored for more powerful inhibitors. current study systematically investigates effect substituent on C7 in gas phase solvent as well. X-Ray crystallographic reveals glycerol side chain remains free. Hence, analysis carried search abinitio DFT investigation guanidinoand methyl receptor. Hence further guanidine derivatives could act a promising candidate design development Vaccination H1N1 not effective due new mutagenic strains hence, cannot contain infection.Therefore antiviral drugs will address limitation vaccination. finding inhibitors effectively prevent morbidity.