Title : ( Synthesis, Characterization and Application of [1-Methylpyrrolidin-2-one‐SO3H] Cl as an Efficient Catalyst for the Preparation of α- Aminophosphonate and Docking Simulation of Ligand Bond Complexes of Cyclin- Dependent Kinase 2 )
Authors: mehdi mirzaei , Hossein Eshghi , Maede Hasanpour Mansour , Reihaneh Sabbaghzadeh ,
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Abstract
A sulfonic acid functionalized ionic liquid was designed, synthesized and successfully used as a Brønsted acid catalyst for the one-pot synthesis of α-aminophosphonates containing benzothiazole at room temperature under solvent‐free conditions in excellent yields. The advantages of this method are the reusability of the catalyst, high conversion, short reaction time, and simple experimental procedure. A computer modeling and docking simulation of ligand bond complexes of cyclin-dependent kinase 2 are presented. The results indicate that diethyl ((4- (dimethylamino) phenyl) ((6-nitrobenzo[d]thiazol-2-yl) amino)methyl)phosphonate was found to be the best selective inhibitor of cyclin-dependent kinase 2.
