A Green Synthesis of Nitrogen Containing Novel Tetraazaaceanthrylene Derivatives Under Catalyst‐free Conditions: Docking studies, ADME and Antibacterial Activity

Abstract

AbstractA facile and convenient greener route has been introduced for the synthesis of novel 2‐phenyl‐2,3,5,6‐tetraazaaceanthrylene‐1,4(2H,5H)‐dione derivatives via one pot three component reaction of barbituric acid, substituted aryl amines and isatin with ethanol as solvent. The synthesized compounds were characterized by FT‐IR, 1H NMR and 13C NMR techniques. The remarkable features of this method are catalyst‐free, short reaction time, good yields and simple purification techniques. The effect of inhibition and possibilities of interaction of 1GQN enzyme on Salmonella typhi with synthesized compounds was explored through molecular docking approach. Pharmacokinetics profile of the synthesized compounds was explored by ADME technique. All the synthesized compounds have also been evaluated for their antibacterial activity against Gram positive and Gram‐negative bacterial strains. The compounds 4a and 4d exhibited significant effect against four human pathogenic bacterial strains with the maximum inhibition zone.