QSAR analysis of structurally similar antitubercular isatin analogues

A series of structurally similar isatin analogues with antitubercular activity have been subjected for 2D and 3D QSAR analysis using V life MDS 3.5 software. The compounds were divided into training and test set of 44 and 11 each. Best QSAR models were selected on the basis of various statistical pa...

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Detalles Bibliográficos
Autores principales:	Sawant, Ramesh L., Wadekar, Jyoti B., Lanke, Prashant D.
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2011
Materias:	Farmacia antitubercular activity; isatin; QSAR Relación Estructura-Actividad Cuantitativa Compuestos Heterocíclicos
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/8213 http://www.latamjpharm.org/resumenes/30/4/LAJOP_30_4_1_21.pdf
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-8213
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Farmacia antitubercular activity; isatin; QSAR Relación Estructura-Actividad Cuantitativa Compuestos Heterocíclicos
spellingShingle	Farmacia antitubercular activity; isatin; QSAR Relación Estructura-Actividad Cuantitativa Compuestos Heterocíclicos Sawant, Ramesh L. Wadekar, Jyoti B. Lanke, Prashant D. QSAR analysis of structurally similar antitubercular isatin analogues
topic_facet	Farmacia antitubercular activity; isatin; QSAR Relación Estructura-Actividad Cuantitativa Compuestos Heterocíclicos
description	A series of structurally similar isatin analogues with antitubercular activity have been subjected for 2D and 3D QSAR analysis using V life MDS 3.5 software. The compounds were divided into training and test set of 44 and 11 each. Best QSAR models were selected on the basis of various statistical parameters like square correlation coefficient (<sup>2<sup> ), cross validated square correlation coefficient (q<sup>2<sup> ), standard error of estimation (SE) and sequential Fischer test (F). QSAR studies reveals that new isatin analogues with less bulky substitution on nitrogen of first position and at third position electropositive side chain of optimum four atoms length whose terminal atom is substituted with aromatic system bearing polar group may be better antitubercular agents.
format	Articulo Articulo
author	Sawant, Ramesh L. Wadekar, Jyoti B. Lanke, Prashant D.
author_facet	Sawant, Ramesh L. Wadekar, Jyoti B. Lanke, Prashant D.
author_sort	Sawant, Ramesh L.
title	QSAR analysis of structurally similar antitubercular isatin analogues
title_short	QSAR analysis of structurally similar antitubercular isatin analogues
title_full	QSAR analysis of structurally similar antitubercular isatin analogues
title_fullStr	QSAR analysis of structurally similar antitubercular isatin analogues
title_full_unstemmed	QSAR analysis of structurally similar antitubercular isatin analogues
title_sort	qsar analysis of structurally similar antitubercular isatin analogues
publishDate	2011
url	http://sedici.unlp.edu.ar/handle/10915/8213 http://www.latamjpharm.org/resumenes/30/4/LAJOP_30_4_1_21.pdf
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bdutipo_str	Repositorios
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QSAR analysis of structurally similar antitubercular isatin analogues

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