A convenient synthesis of pyrimidinthiones was carried out in presence of thiourea and easily available catalyst sulfamic acid (2a-t). One-pot Biginelli reaction is very important due to the use of simple and readily available chemicals, less reaction time, economically friendly, and furnishing good yield.Structures of the synthesized compounds are characterized by spectral techniques like IR, 1 H-NMR, 13 C-NMR, and LC-MS. Synthesized compounds were studied for their antimicrobial activity against several strains of bacteria (E. coli, P. aeruginosa, and S. aureus, S. pyogenes) and fungi (C. albicans, A. niger, and A. clavatus) using serial dilution method.
Compounds1-((1-(4-(2H-benzo[e] [1,3]oxazin-3(4H)-yl)phenyl) ethylidene)amino)-6-((arylidene)amino)-4-(4-chlorophenyl)-2oxo-1,2-dihydropyridine-3,5-dicarbonitriles (4a-j) were prepared, 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. Additionally, the predictions based on the molecular docking study, against microbial DNA gyrase, were carried out.[a] Prof.
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