Abstract

MOLECULAR DOCKING STUDIES OF FEW PYRAZOL-1-YL QUINOLINE DERIVATIVES

Satish M. Bhalekar*

Abstract

Earlier we have reported the synthesis of few novel substituted quinolines and heterocyclic substituted quinolones (1-5). 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 gastrointestinal absorption and brain permeation.

Keywords: Quinoline, Pyrazole, Benzimidazole, Benzthiazole, Benzoxazole, Molecular docking, AutoDock Vina, SwissADME analysis.