The Electronic Influence on the Active Site-Directed Inhibition of

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Título :	The Electronic Influence on the Active Site-Directed Inhibition of
Palabras clave :	Acetylcholinesterase Hammett Relationship Docking, N-aryl-substituted-succinimides
Fecha de publicación :	16-ene-2013
Editorial :	Journal of the Mexican Chemical Society
Descripción :	A computational docking approach, in combination with the Hammett relationship, has been employed to evaluate the electronic influence of substituents on ligand binding and the active site-directed inhibitory potency on acetylcholinesterase using nine N-aryl-substituted succinimides. Our results indicate that electronwithdrawing groups attached to benzene moiety of the compounds favor the inhibitory potency while electron-donating groups do not. This fact was confirmed by performing kinetic experiments on acetylcholinesterase from Electrophorus electricus; the experiments showed that para-substituted-NO2 compound inhibits better than para-substituted-OMe and –H derivatives. This approach may be useful for the rationalization of drugs design, as well as the mechanism of the active site. Instituto Politecnico Nacional, CONACYT
URI :	http://www.repositoriodigital.ipn.mx/handle/123456789/11692
Otros identificadores :	1665-9686 http://hdl.handle.net/123456789/1225
Aparece en las colecciones:	Doctorado

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