Molecular Docking Studies of N-(((5-Aryl-1,3,4-Oxadiazol-2-yl)Amino)Methyl)- and N-(2,2,2-Trichloro-1-((5-Aryl-1,3,4-Oxadiazol-2-yl)Amino)Ethyl)Carboxamides as Potential Inhibitors of GSK-3β

In this study it has been carried out in silico modeling of glycogen synthase kinase-3β inhibition by N-amidoalkylated derivatives of 2-amino-1,3,4-oxadiazole, using software ArgusLab 4.0.1. It has been shown that the structures being studied mainly form stronger complexes with the enzyme compared to the known inhibitor. Based on the results of molecular docking, the compounds leaders N-(((5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl)amino)methyl) benzamide and 2,4-dichloro-N-(2,2,2-trichloro-1-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)amino)ethyl) benzamide have been chosen. The compound N-(((5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl)amino)methyl)benzamide has been known before, and the compound 2,4-dichloro-N-(2,2,2-trichloro-1-((5-(p-tolyl)-1,3,4-oxadiazol-2-yl)amino)ethyl) benzamide has been obtained for the first time. They can be recommended for further studies in the treatment of Alzheimer's disease.