DESIGN, SYNTHESIS AND MOLECULAR DOCKING OF SOME DERIVATIVES OF 9-METHYLPYRAZOLO[1,5-d][1,2,4]TRIAZOLO [3,4-f][1,2,4]TRIAZINE-3-THIOL

Authors : Sergey FEDOTOV, Andrey GOTSULYA, Yevhen ZAİKA, Tetyana BRYTANOVA

Pages : 336-348

Doi:10.33483/jfpau.1180794

View : 14 | Download : 8

Publication Date : 2023-05-20

Article Type : Research Paper

Abstract :Objective: The purpose of the work was to elaboration effective techniques for the synthesis of advanced condensed heterocyclic systems based on pyrazole and 1,2,4-triazole. In the process of realizing the set goal, a number of new pyrazolo[1,5-d][1,2,4]triazolo[3,4-f][1,2,4]triazines have been synthesized. Material and Method: Identity of synthesized compounds has been confirmed by elemental analysis, 1H-NMR, LC-MS techniques. The pharmacological potential of the obtained substances has been determined by molecular docking method. Result and Discussion: The optimal conditions for the preparation of pyrazolo[1,5-d][1,2,4]triazolo[3,4-f][1,2,4]triazines has been determined. Based on the results of molecular docking, a row of substances with high potential for anti-inflammatory and antifungal activity has been identified. In silico studies were carried out using the models of cyclooxygenase-2, lanosta-8,24-dien-3β-ol 14α-demethylase, anaplastic lymphoma kinase.
Keywords : 1, 2 diazol, 1, 2, 4 triazol, dönüşüm, kimya, moleküler yerleştirme