| Literature DB >> 9845968 |
A E Medvedev1, A V Veselovsky, V I Shvedov, O V Tikhonova, T A Moskvitina, O A Fedotova, L N Axenova, N S Kamyshanskaya, A Z Kirkel, A S Ivanov.
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 (X:Y:Z) 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.Entities:
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Year: 1998 PMID： 9845968 DOI： 10.1021/ci9802068
Source DB: PubMed Journal: J Chem Inf Comput Sci ISSN： 0095-2338