INVESTIGADORES
ENRIZENRIZ] ricardoricardo] danieldaniel]
artículos
Título:
Molecular Recognition and Binding mechanism of N-aralkyl substituted 2-aminoindans to the D2 dopamine receptor. A theoretical study.” (Review)
Autor/es:
S.A ANDUJAR, F.M.GARIBOTO, B.MIGLIORE DE ANGEL, J.ANGEL GIO, J.E.CHARRIS, R.D.ENRIZENRIZ]
Revista:
Journal of the Argentine Chemical Society
Referencias:
Lugar: Buenos Aires; Año: 2006 vol. 94 p. 1 - 1
ISSN:
0365-0375
Resumen:
Abstract In order to better understand, at submolecular level, the minimal structural requirements for the recognition process in the inhibitor activity, N-aralkylsubstituted 2-aminoindans were examined as D2 dopamine receptor antagonist variants. Semiempirical (AM1) and abinitio (RHF/3-21G and RHF/6-31G(d)) calculations were performed for a better understanding of the recognition process at submolecular level. Using the above-mentioned computational model, we were able to interpret the basic behavior and predict some additional features of N-aralkylsubstituted 2-aminoindans-Dopamine D2 receptor interaction.2 dopamine receptor antagonist variants. Semiempirical (AM1) and abinitio (RHF/3-21G and RHF/6-31G(d)) calculations were performed for a better understanding of the recognition process at submolecular level. Using the above-mentioned computational model, we were able to interpret the basic behavior and predict some additional features of N-aralkylsubstituted 2-aminoindans-Dopamine D2 receptor interaction.2 receptor interaction.
rds']