2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives

4-methyl-3-(6-{[arylmethylene] amino} pyridin-3-yl)-2H-chromen-2-one derivatives containing different functional groups have been synthesized and screened for their antibacterial activity against four different strains of bacteria. 2D and 3D QSAR analysis of synthesized derivatives were performed on...

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Detalles Bibliográficos
Autores principales:	Ingale, Kundan B., Bhatia, Manish S.
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2010
Materias:	Farmacia 2D QSAR; 3D QSAR; antibacterial activity; chromen-2-one Farmacología Agentes antibacterianos Análisis químico
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/8001 http://www.latamjpharm.org/resumenes/29/6/LAJOP_29_6_1_6.pdf
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-8001
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Farmacia 2D QSAR; 3D QSAR; antibacterial activity; chromen-2-one Farmacología Agentes antibacterianos Análisis químico
spellingShingle	Farmacia 2D QSAR; 3D QSAR; antibacterial activity; chromen-2-one Farmacología Agentes antibacterianos Análisis químico Ingale, Kundan B. Bhatia, Manish S. 2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
topic_facet	Farmacia 2D QSAR; 3D QSAR; antibacterial activity; chromen-2-one Farmacología Agentes antibacterianos Análisis químico
description	4-methyl-3-(6-{[arylmethylene] amino} pyridin-3-yl)-2H-chromen-2-one derivatives containing different functional groups have been synthesized and screened for their antibacterial activity against four different strains of bacteria. 2D and 3D QSAR analysis of synthesized derivatives were performed on Vlife MDS 3.5 software. The data set for QSAR studies encompassed activities of 64 molecules divided into training and test set. The best models were selected on basis of correlation coefficient (r2) and internal and external predictivity (Pred_r2) of the QSAR model. QSAR models reveled that electronic, steric and liphophillic parameters have correlation with antibacterial activity. The 3D interactions and their contributions indicate multi-targeted mode of action of the compounds.
format	Articulo Articulo
author	Ingale, Kundan B. Bhatia, Manish S.
author_facet	Ingale, Kundan B. Bhatia, Manish S.
author_sort	Ingale, Kundan B.
title	2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
title_short	2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
title_full	2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
title_fullStr	2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
title_full_unstemmed	2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
title_sort	2d and 3d qsar studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-yl)-2h-chromen-2-one derivatives
publishDate	2010
url	http://sedici.unlp.edu.ar/handle/10915/8001 http://www.latamjpharm.org/resumenes/29/6/LAJOP_29_6_1_6.pdf
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bdutipo_str	Repositorios
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2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives

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