MOLECULAR DOCKING OF 4-AZIDO-2-(4-SUBSTITUTED-PHENYL)-5-(2-NITROPHENYL)-2H-1,2,3-TRIAZOLES

Abstract

Molecular docking of 4-azido-2-(4-substituted-phenyl)-5-(2-nitrophenyl)-2H-1,2,3-triazoles was fulfilled by means of SwissADME prediction software and carried out analysis on P-glycoprotein and Cytochrome P450 isoenzymes as well as calculations of the pharmacokinetic properties of the compounds. 4-azido-2-(4-substituted-phenyl)-5-(2-nitrophenyl)-2H-1,2,3-triazole were considered as molecules which meet the requirements for the synthesis of medicinal substances. At the same time, by means of Swiss Targeted Prediction software were made calculations using the Brain or Intestine permeability method (BOILED-Egg) and obtained positive results.