Abstract

MOLECULAR DOCKING STUDIES OF SOME 4H -1 -BENZOPYRAN- 4-ONE DERIVATIVES

Satish M. Bhalekar*

Abstract

The synthesis and biological activity of few heterocyclic compounds derived from 2-(4-aminophenyl)- 4H -1 -benzopyran-4-one is reported earlier. 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: Benzopyran-4-one, Quinoline, Molecular docking, AutoDock Vina, SwissADME analysis.