Por favor, use este identificador para citar o enlazar este Item:http://hdl.handle.net/20.500.12105/20408
Título
Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors
Autor(es)
Fecha de publicación
2017-02
Cita
Frau J, Glossman-Mitnik D. Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors. Molecules. 2017 Feb;22(2):226.
Idioma
Inglés
Tipo de documento
research article
Resumen
Several compounds with the known ability to perform as inhibitors of advanced glycation endproducts (AGE) have been studied with Density Functional Theory (DFT) through the use of a number of density functionals whose accuracy has been tested across a broad spectrum of databases in Chemistry and Physics. The chemical reactivity descriptors for these systems have been calculated through Conceptual DFT in an attempt to relate their intrinsic chemical reactivity with the ability to inhibit the action of glycating carbonyl compounds on amino acids and proteins. This knowledge could be useful in the design and development of new drugs which can be potential medicines for diabetes and Alzheimer's disease.
Palabras clave
Diabetes | Alzheimer | AGEs inhibitors | Computational chemistry | Molecular modeling | Conceptual DFT | Chemical reactivity theory
MESH
Molecular Structure | Drug Design | Models, Molecular | Glycation End Products, Advanced | Humans | Models, Chemical | Algorithms
DECS
Productos Finales de Glicación Avanzada | Modelos Químicos | Modelos Moleculares | Humanos | Algoritmos | Estructura Molecular | Diseño de Fármacos
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DOI
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