Abstract

MOLECULAR DOCKING STUDIES OF SOME PYRIDAZINONE DERIVATIVES

Satish M. Bhalekar* and Santosh V. Raskar

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Abstract

Earlier we have reported the synthesis of some Nitrogen bridgehead heterocycles having Pyridazinone moiety and synthesis of substituted 3-{[4-(3-Chloro-6-oxopyridazin-1(6H)-yl)Phenyl]amino}-5H- [1,3]Oxazolo[3,2-a]Pyrimidin-5-ones. In the present paper the molecular docking studies of these molecules is reported. Structures of the synthesized molecules were docked to the target protein molecules of disease producing pathogens using AutoDock Vina, a docking tool. The molecular docking showed good score of bioavailability. SwissADME studies were carried out to test the gastro- intestinal absorption and brain permeation.

Keywords: Pyridazinone, Oxazole, Pyrimidinone, Nitrogen Bridgehead Heterocycles, Molecular docking, AutoDock Vina, SwissADME analysis.