Affiliation:
1. Division of Medicinal Chemistry Department of Chemistry (DST-FIST Sponsored & UGC NON-SAP) Mahatma Gandhi Campus M. K. Bhavnagar University Bhavnagar-364002 India
2. Department of Pharmaceutical Chemistry Shri Vile Parle Kelavani Mandal's Institute of Pharmacy Mumbai - Agra National Hwy, Dhule Maharashtra 424001 India
Abstract
AbstractCompounds 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 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.
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