Research Journal of Pharmacy and Technology

SCOPUS
  • Year: 2019
  • Volume: 12
  • Issue: 2

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

  • Author:
  • Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Oxana V. Okhtina, Aleksandr V. Kharchenko
  • Total Page Count: 8
  • Page Number: 523 to 530

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

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.

Keywords

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