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http://repositoriodigital.ipn.mx/handle/123456789/11692
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 |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
DQZ_J-Mex_Chem_Soc_2007_222_227.pdf | 615.66 kB | Adobe PDF | Visualizar/Abrir |
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