Inhibition of monoamine oxidase by pirlindole analogues: 3D-QSAR and CoMFA analysis.
J Chem Inf Comput Sci
; 38(6): 1137-44, 1998.
Article
em En
| MEDLINE
| ID: mdl-9845968
ABSTRACT
A series of pyrazinocarbazoles, analogues of short acting antidepressant pirlindole (2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino[3,2,1-j,k]carbazole hydrochloride), were tested as inhibitors of monoamine oxidase A (MAO-A) and B (MAO-B). Rigid analogues exhibited potent and selective inhibition of MAO-A and have size limits (XYZ) of 13.0 x 7.0 x 4.4 A. Besides MAO-A inhibition flexible analogues also demonstrated potent inhibition of MAO-B and in contrast to rigid analogues their inhibitory activity did not show the dependence on these sizes. The qualitative information (steric and electrostatic coefficients) from the 3D-QSAR with CoMFA models for MAO-A and -B are different, and this information can be used to determine the structural features influencing inhibitor selectivity.
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Base de dados:
MEDLINE
Assunto principal:
Carbazóis
/
Monoaminoxidase
/
Inibidores da Monoaminoxidase
Idioma:
En
Ano de publicação:
1998
Tipo de documento:
Article