%0 Journal Article
%T Molecular recognition and binding mechanism of N-aralkyl substituted 2-aminoindans and the dopamine D2 receptor: A theoretical study
%A Andujar
%A S. A.
%A Garibotto
%A F. M.
%A Enriz
%A R. D.
%A Migliore de Angel
%A B.
%A Angel-Gu¨ªo
%A J
%A Charris
%A J
%J Anales de la Asociaci£¿3n Qu£¿-mica Argentina
%D 2006
%I Scientific Electronic Library Online
%X 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 ab-initio (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-aralkyl substituted 2-aminoindans-dopamine d2 receptor interaction.
%U http://www.scielo.org.ar/scielo.php?script=sci_abstract&pid=S0365-03752006000100001&lng=en&nrm=iso&tlng=en