Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach

Classical Hansch type quantitative structure-activity relationship (QSAR) has been performed on a set of structurally modified celecoxib analogues for their inhibitory potency and selectivity towards cyclooxygenase isozymes using classical physicochemical and structural parameters. Statistically sig...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Manivannan, E., Moorthy, N.S.H.N.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2012
Materias:
Farmacia
COX-1
COX-2
QSAR
Selectivity
Relación Estructura-Actividad Cuantitativa
Ciclooxigenasa 1
Ciclooxigenasa 2
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/20183
http://www.latamjpharm.org/resumenes/31/4/LAJOP_31_4_1_11.pdf
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-20183
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Farmacia
COX-1
COX-2
QSAR
Selectivity
Relación Estructura-Actividad Cuantitativa
Ciclooxigenasa 1
Ciclooxigenasa 2
spellingShingle Farmacia
COX-1
COX-2
QSAR
Selectivity
Relación Estructura-Actividad Cuantitativa
Ciclooxigenasa 1
Ciclooxigenasa 2
Manivannan, E.
Moorthy, N.S.H.N.
Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
topic_facet Farmacia
COX-1
COX-2
QSAR
Selectivity
Relación Estructura-Actividad Cuantitativa
Ciclooxigenasa 1
Ciclooxigenasa 2
description Classical Hansch type quantitative structure-activity relationship (QSAR) has been performed on a set of structurally modified celecoxib analogues for their inhibitory potency and selectivity towards cyclooxygenase isozymes using classical physicochemical and structural parameters. Statistically significant regression models were developed for cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2) inhibitory potency as well as selectivity index. The results of our QSAR study suggest the importance of the molecular size, shape and electronic character of the aromatic ring substituents. Further our investigation provides important structural and physicochemical features for designing potent and selective COX-2 inhibitors within the congener series of compounds.
format Articulo
Articulo
author Manivannan, E.
Moorthy, N.S.H.N.
author_facet Manivannan, E.
Moorthy, N.S.H.N.
author_sort Manivannan, E.
title Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
title_short Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
title_full Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
title_fullStr Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
title_full_unstemmed Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
title_sort structurally modified celecoxib analogues for selective cox-2 inhibition: a classical hansch qsar approach
publishDate 2012
url http://sedici.unlp.edu.ar/handle/10915/20183
http://www.latamjpharm.org/resumenes/31/4/LAJOP_31_4_1_11.pdf
work_keys_str_mv AT manivannane structurallymodifiedcelecoxibanaloguesforselectivecox2inhibitionaclassicalhanschqsarapproach
AT moorthynshn structurallymodifiedcelecoxibanaloguesforselectivecox2inhibitionaclassicalhanschqsarapproach
bdutipo_str Repositorios
_version_ 1764820465397792768

Ejemplares similares