SYNTHESIS AND PROPERTIES OF S-ALKYL 4-(4-CHLOROPHENYL)-5-(PYRROLE-2-YL)-1,2,4-TRIAZOLE-3-THIOL DERIVATIVES

Authors : Andrey GOTSULYA, Serhii FEDOTOV, Olena ZINYCH, Tetiana TROFIMOVA, Tetiana BRYTANOVA

Pages : 1020-1032

Doi:10.33483/jfpau.1280492

View : 40 | Download : 45

Publication Date : 2023-09-20

Article Type : Research Paper

Abstract :Objective: The aim of the work was to develop effective methods for the synthesis of promising heterocyclic systems based on pyrrole and 1,2,4-triazole. In the process of realizing of this aim, 10 new S-alkyl 4-insert ignore into journalissuearticles values(4-chlorophenyl);-5-insert ignore into journalissuearticles values(pyrrole-2-yl);-1,2,4-triazole-3-thiol derivatives were synthesized. Material and Method: Chemical structures of synthesized compounds were characterized with elemental analysis, 1H-NMR, LC-MS techniques. The biological potential of the synthesized substances was estimated by the molecular docking method and ADME analysis. Result and Discussion: An optimum method for the synthesis of S-alkyl 4-insert ignore into journalissuearticles values(4-chlorophenyl);-5-insert ignore into journalissuearticles values(pyrrole-2-yl);-1,2,4-triazole-3-thiol has been developed. In molecular modeling studies, the compounds were found to be similar to known drugs in some respects. The interaction of each molecule with the crystal structures of cyclooxygenase-2, lanosterol-14α-demethylase in the active site was considered in silico. Pharmacokinetic parameters for a number of the synthesized compounds have been predicted by ADME analysis.
Keywords : 1, 2, 4 triazol, ADME analizi, moleküler modelleme, sentez