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Synthesis, Antimicrobial Activity and 3D‐QSAR Study of Hybrid Oxazine Clubbed Pyridine Scaffolds
Author(s) -
Desai Nisheeth C.,
Bhatt Nayan B.,
Joshi Surbhi B.,
Jadeja Krunalsinh A.,
Khedkar Vijay M.
Publication year - 2019
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201901391
Subject(s) - quantitative structure–activity relationship , antimicrobial , dna gyrase , chemistry , pyridine , stereochemistry , combinatorial chemistry , organic chemistry , biochemistry , escherichia coli , gene
Compounds 1‐((1‐(4‐(2 H ‐benzo[e][1,3]oxazin‐3(4 H )‐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.