Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds

Author

FERNANDEZ, Michael^{1 2} ; CABALLERO, Julio^{1 2} ; HELGUERA, Aliuska Morales^{3 4} ; CASTRO, Eduardo A⁵ ; PEREZ GONZALEZ, Maykel^{4 6}
[1] Molecular Modeling Group, Center for Biotechnological Studies, Faculty of Agronomy, University of Matanzas, 44740 Matanzas, Cuba
[2] Probiotic Group, Center for Biotechnological Studies, Faculty of Agronomy, University of Matanzas, 44740 Matanzas, Cuba
[3] Department of Chemistry, Faculty of Chemistry and Pharmacy, Central University of Las Villas, Santa Clara, 54830 Villa Clara, Cuba
[4] Chemical Bioactive Center, Central University of Las Villas, Santa Clara, United States
[5] INIFTA, División Química Teórica, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Diag. 113 y 64, Suc.4, C.C. 16, La Plata 1900, Argentina
[6] Unit of Service, Drug Design Department, Experimental Sugar Cane Station ' Villa Clara-Cienfuegos', Ranchuelo, 53100 Villa Clara, Cuba

Source

Bioorganic & medicinal chemistry. 2005, Vol 13, Num 9, pp 3269-3277, 9 p

ISSN

0968-0896

Scientific domain

Biochemistry, molecular biology, biophysics; Pharmacology drugs

Publisher

Elsevier Science, Oxford

Publication country

United Kingdom

Document type

Article

Language

English

Author keyword

Aldose reductase Artificial neural networks Charge indices Inhibitory activity QSAR

Keyword (fr)

Aldehyde reductase Algorithme génétique Flavonoïde In vitro Inhibiteur enzyme Modèle moléculaire Modélisation Prédiction Relation structure activité Réseau neuronal Transfert charge Indice topologique QSAR Enzyme Oxidoreductases

Keyword (en)

Aldehyde reductase Genetic algorithm Flavonoid In vitro Enzyme inhibitor Molecular model Modeling Prediction Structure activity relation Neural network Charge transfer Topological index Enzyme Oxidoreductases

Keyword (es)

Aldehyde reductase Algoritmo genético Flavonoide In vitro Inhibidor enzima Modelo molecular Modelización Predicción Relación estructura actividad Red neuronal Transferencia carga Enzima Oxidoreductases

Classification

Pascal

002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02W Miscellaneous

Discipline

General pharmacology

Origin

Inist-CNRS

Database

PASCAL

INIST identifier

16678703

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS