title: Synthesis, molecular docking and antiamnesic activity of selected 2- naphthyloxy derivatives.
abstract: The present paper describes the design and synthesis of a series of some 2-naphthyloxy derivatives with their antiamnesic activity using mice as the animal model and piracetam as the reference drug. All the synthesized compounds were characterized by spectroscopic techniques and were screened for their efficacy as cognition enhancers by elevated plus maze test and acetylcholinestrase inhibitory assay. Molecular modeling and docking studies of the selected compounds into the crystal structure of acetylcholinestrase complexed with functional ligand succinylcholine using GRAMM software was performed in order to predict the affinity and orientation of the synthesized derivatives at the active site. The binding energy of ligands was calculated using ArgusLab software. The docking score and hydrogen bonds formed with surrounding amino acids show the good agreement with predicted binding affinities obtained by molecular docking studies, as verified by acetylcholinestrase activity.
authors.affiliation: University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, India. ppvohra28in@yahoo.co.in
authors.forename: Poonam
authors.initials: P
authors.lastname: Piplani
authors.forename: Paramveer
authors.initials: P
authors.lastname: Singh
authors.forename: Anuradha
authors.initials: A
authors.lastname: Sharma
mesh_terms: D000647:Amnesia / Q000517:prevention & control*; D000818:Animals; D002800:Cholinesterase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D004789:Enzyme Activation / Q000187:drug effects; D006016:Glycolates / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D006860:Hydrogen Bonding; D008024:Ligands; D051379:Mice; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D018697:Nootropic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D010889:Piracetam / Q000737:chemistry / Q000494:pharmacology; D011485:Protein Binding / Q000187:drug effects
chemical_list: D002800:Cholinesterase Inhibitors; D006016:Glycolates; D008024:Ligands; D018697:Nootropic Agents; C008586:2-naphthoxyacetic acid; D010889:Piracetam