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Research Journal of Pharmacy and Technology
Year : 2019, Volume : 12, Issue : 2
First page : ( 523) Last page : ( 530)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2019.00092.1

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

Zadorozhnii Pavlo V.*, Pokotylo Ihor O., Kiselev Vadym V., Okhtina Oxana V., Kharchenko Aleksandr V.

Department of Organic Substances and Pharmaceutical Preparations, Ukrainian State University of Chemical Technology, Gagarin Ave., 8, Dnipro, 49005, Ukraine

*Corresponding Author E-mail: torfp@i.ua

Online published on 18 April, 2019.

Abstract

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.

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Keywords

Alzheimer's Disease, 1, 3, 4-Oxadiazole, Docking, GSK-3β, Inhibitors, Synthesis, Argus Lab.

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