Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics

Diuretics are an attractive class of drugs for the treatment of various disorders and in combination with some cardiovascular drugs. In the present work, 2D and 3D quantitative structure-activity relationship studies have been conducted on a series of diuretics. Significant correlation coefficients...

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Autores principales: Bhatia, Manish S., Ingale, Kundan B., Choudhari, Prafulla B., Sawant, Ramesh L., Patil, Chandragouda R.
Formato: Articulo Comunicacion
Lenguaje:Inglés
Publicado: 2009
Materias:
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/7857
http://www.latamjpharm.org/trabajos/28/6/LAJOP_28_6_2_4_B7DAF217LM.pdf
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id I19-R120-10915-7857
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Farmacia
Medicamentos
Diuréticos
Farmacología
spellingShingle Farmacia
Medicamentos
Diuréticos
Farmacología
Bhatia, Manish S.
Ingale, Kundan B.
Choudhari, Prafulla B.
Sawant, Ramesh L.
Patil, Chandragouda R.
Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
topic_facet Farmacia
Medicamentos
Diuréticos
Farmacología
description Diuretics are an attractive class of drugs for the treatment of various disorders and in combination with some cardiovascular drugs. In the present work, 2D and 3D quantitative structure-activity relationship studies have been conducted on a series of diuretics. Significant correlation coefficients (r2 = 0.81 and q2 = 0.65, r2 = 0.91 and q2 = 0.85) were obtained, indicating potential of the models generated for untested compounds. The models were then used to predict the potency of an external test set, and the predicted values obtained from the 2D and 3D models were in good agreement with the experimental results. The final QSAR models, along with the information obtained from 3D steric and electrostatic contour maps and 2D contributions should be useful for the design of diuretics having improved potency.
format Articulo
Comunicacion
author Bhatia, Manish S.
Ingale, Kundan B.
Choudhari, Prafulla B.
Sawant, Ramesh L.
Patil, Chandragouda R.
author_facet Bhatia, Manish S.
Ingale, Kundan B.
Choudhari, Prafulla B.
Sawant, Ramesh L.
Patil, Chandragouda R.
author_sort Bhatia, Manish S.
title Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
title_short Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
title_full Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
title_fullStr Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
title_full_unstemmed Two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
title_sort two- and three-dimensional quantitative structure-activity relationships studies on a series of diuretics
publishDate 2009
url http://sedici.unlp.edu.ar/handle/10915/7857
http://www.latamjpharm.org/trabajos/28/6/LAJOP_28_6_2_4_B7DAF217LM.pdf
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