Author(s):
Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko
Email(s):
torfp@i.ua
DOI:
10.5958/0974-360X.2019.00092.1 
Address:
Pavlo V. Zadorozhnii*, Ihor O. Pokotylo, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko
Department of Organic Substances and Pharmaceutical Preparations, Ukrainian State University of Chemical Technology, Gagarin Ave., 8, Dnipro 49005, Ukraine.
*Corresponding Author
Published In:
Volume - 12,
Issue - 2,
Year - 2019
ABSTRACT:
In this study it has been carried out in silico modeling of glycogen synthase kinase-3ß 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.
Cite this article:
Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko. 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. Research J. Pharm. and Tech 2019; 12(2):523-530. doi: 10.5958/0974-360X.2019.00092.1
Cite(Electronic):
Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko. 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. Research J. Pharm. and Tech 2019; 12(2):523-530. doi: 10.5958/0974-360X.2019.00092.1 Available on: https://rjptonline.org/AbstractView.aspx?PID=2019-12-2-11