Abstract

MOLECULAR DOCKING STUDIES OF SOME PYRAZOL-1-YL-1, 3- THIAZOLE DERIVATIVES

Satish M. Bhalekar*, Santosh V. Raskar and Peter R. Rodrigues

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Abstract

Synthesis of 4-(4-bromophenyl)-2-[4-arylhydrazono-3-methyl-5-(4- phenylthiazol-2-yl) imino- 4,5-dihydropyrazol-1-yl]-1,3-thiazole derivatives is reported. The 4-arylhydrazono derivatives have different group such as -NO2, -Br, -Cl, -CH3, -OCH3 at position 4. We are hereby reporting molecular docking studies of these molecules. Structures of these molecules were docked to the target protein molecules of disease producing pathogens using AutoDock Vina, a docking tool. SwissADME studies were carried out to test the gastrointestinal absorption and brain permeation.

Keywords: Pyrazole, Thiazole, Molecular docking, SwissADME analysis.