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Pharmacophore Modelling, Docking and Biological Evaluation of Vanillin Derivatives as Neuraminidase Inhibitors

Abstract A series of vanillin derivatives (1-3) were synthesized and their proposed structure was established by elemental analyses, FTIR and 1H-NMR spectral. In this paper we employed A 3D pharmacophore model based on selected ten established NA inhibitors as training set with diverse molecular structures and performed docking simulation using PDB-2HU0 to observe the ligand-protein…