QSAR study and molecular design of open-chain enaminones as anticonvulsant agents

Present work employs the QSAR formalism to predict the ED<SUB>50</SUB> anticonvulsant activity of ringed-enaminones, in order to apply these relationships for the prediction of unknown open-chain compounds containing the same types of functional groups in their molecular structure. Two d...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Garro Martinez, Juan C., Duchowicz, Pablo Román, Estrada, Mario R., Zamarbide, Graciela N., Castro, Eduardo Alberto
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2011
Materias:	Ciencias Exactas Anticonvulsant activity Flexible descriptors Open-chain enaminone QSAR theory
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/84680
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

Ejemplares similares

Estudio, desarrollo y aplicación de modelos de la teoría QSPR-QSAR en pesticidas
por: Aranda, José Francisco
Publicado: (2018)

Application of a novel ranking approach in QSPR-QSAR
por: Duchowicz, Pablo Román, et al.
Publicado: (2006)

Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants
por: Marino, Damián José Gabriel, et al.
Publicado: (2006)

QSAR study for carcinogenicity in a large set of organic compounds
por: Duchowicz, Pablo Román, et al.
Publicado: (2012)

QSPR modeling of the enthalpy of formation based on Partial Order Ranking
por: Castro, Eduardo Alberto, et al.
Publicado: (2005)

Synthesis and anticonvulsant activity of amino acid-derived sulfamides
por: Gavernet, Luciana, et al.
Publicado: (2009)

Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism
por: Gavernet, L., et al.

Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism
Publicado: (2003)

A QSTR-based expert system to predict sweetness of molecules
por: Rojas Villa, Cristian Xavier, et al.
Publicado: (2017)

Synthesis and QSAR analysis of oxazolo/thiazolo pyrimidine derivatives as potential antibacterial agents
por: Sawant, Ramesh L., et al.
Publicado: (2012)

QSAR study for the fish toxicity of benzene derivatives
por: Duchowicz, Pablo Román, et al.
Publicado: (2009)

Construcción, validación y aplicación de un modelo QSAR para la búsqueda de nuevos agentes antiepilépticos
por: Talevi, Alan, et al.
Publicado: (2005)

Avances en estudios QSAR/QSPR con aplicaciones agronómicas
por: Aranda, José F., et al.
Publicado: (2016)

QSAR studies of the antioxidant activity of anthocyanins
por: Duchowicz, Pablo Román, et al.
Publicado: (2019)

Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
por: Duchowicz, P.R., et al.

QSAR predictions on antichagas fenarimols
por: Duchowicz, Pablo Román, et al.
Publicado: (2022)

Anticonvulsant hypersensitivity syndrome: clinic case and literature review
por: Leonangeli, Sebastian, et al.
Publicado: (2020)

Modeling PPARα activation of Benzoxazole-Phenoxyalkyl-Phenoxybutyric acids using diverse descriptors
por: Chen, Mei-mei, et al.
Publicado: (2012)

QSAR analysis on tacrine-related acetylcholinesterase inhibitors
por: Wong, K.Y., et al.
Publicado: (2014)

QSAR studies on aminopyrazoles for the prediction of inhibition of CDK2/Cyclin A as antitumor agents
por: Jain, Sonika, et al.
Publicado: (2011)

New similarity-based algorithm and its application to classification of anticonvulsant compounds
por: Talevi, Alan, et al.
Publicado: (2007)

Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
Publicado: (2017)

QSAR analysis of structurally similar antitubercular isatin analogues
por: Sawant, Ramesh L., et al.
Publicado: (2011)

Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
por: Duchowicz, Pablo Román, et al.
Publicado: (2017)

Estudio, desarrollo y aplicación de modelos de la teoria QSAR-QSPR para la correlación de propiedades de interés agronómico
por: Aranda, José Francisco, et al.
Publicado: (2014)

QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors
por: Duchowicz, Pablo Román, et al.
Publicado: (2018)

Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors
por: Duchowicz, Pablo Román
Publicado: (2018)

A non-conformational QSAR study for plant-derived larvicides against Zika <i>Aedes aegypti</i> L. vector
por: Saavedra Reyes, Laura Marcela, et al.
Publicado: (2020)

Aplicaciones biológicas de la teoría QSAR en el control del mosquito <i>Aedes aegypti</i> L.
por: Saavedra Reyes, Laura Marcela
Publicado: (2020)

2 D QSAR and docking of novel N-substitutedAryl amine derivatives as potential inhibitors of lumazine synthase
por: Bhatia, Manish S., et al.
Publicado: (2010)

2D and 3D QSAR studies and antibacterial activity of 4-methyl-3-(6-{[arylmethylene] amino}pyridin-3-YL)-2H-chromen-2-one derivatives
por: Ingale, Kundan B., et al.
Publicado: (2010)

Application of Machine Learning Approaches to Identify New Anticonvulsant Compounds Active in the 6 Hz Seizure Model
por: Goicoechea, Sofía, et al.
Publicado: (2019)

Understanding antiepileptic drugs : guiding you through the maze of options /
por: Pohlmann-Eden, Bernd, et al.
Publicado: (2014)

2-D QSAR analysis of benzofuran biphenyl/naphthalenes as potent protein tyrosine phosphatase-1B inhibitors
por: Kaushik, Darpan
Publicado: (2009)

Structurally modified celecoxib analogues for selective COX-2 inhibition: a classical hansch QSAR approach
por: Manivannan, E., et al.
Publicado: (2012)

Indice de conectividad molecular y actividad antitumoral de aminoácidos-QSAR
por: Bruno Blanch, Luis Enrique, et al.
Publicado: (1989)

Improved molecular descriptors based on the optimization of correlation weights of local graph invariants
por: Krenkel, Germán, et al.
Publicado: (2001)

Upgrading the Wiener index
por: Castro, Eduardo Alberto, et al.
Publicado: (2002)

Relaciones cuantitativas estructura – actividad larvicida de compuestos naturales en <i>Aedes aegypti</i> vector del virus Zika
por: Saavedra Reyes, Laura Marcela, et al.
Publicado: (2016)

Prediction of Critical Temperatures and Critical Pressures of Some Industrially Relevant Organic Substances from Rather Simple Topological Descriptors
por: Duchowicz, Pablo Román, et al.
Publicado: (2002)