Synthesis, Antimicrobial Activity and 3D-QSAR Study of Hybrid Oxazine Clubbed Pyridine Scaffolds

摘要

Compounds 1-((1-(4-(2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl) ethylidene)amino)-6-((arylidene)amino)-4-(4-chlorophenyl)-2- oxo-1,2-dihydropyridine-3,5-dicarbonitriles (4a-j) were pre- pared, characterized and screened for antimicrobial activity. 3D-quantitative structure activity relationship (3D-QSAR) was explained by CoMFA and CoMSIA models to rationalize the antimicrobial activity of the titled compounds. Statistically significant 3D-QSAR (CoMFA and CoMSIA) models were created which could provide valuable information about the structural modification desired to improvise the biological activity. Addi- tionally, the predictions based on the molecular docking study, against microbial DNA gyrase, were carried out.