| Autor: |
Medvedev, A. E., Veselovsky, A. V., Shvedov, V. I., Tikhonova, O. V., Moskvitina, T. A., Fedotova, O. A., Axenova, L. N., Kamyshanskaya, N. S., Kirkel, A. Z., Ivanov, A. S. |
| Zdroj: |
Journal of Chemical Information and Computer Sciences (now called Journal of Chemical Information and Modeling); November 1998, Vol. 38 Issue: 6 p1137-1144, 8p |
| Abstrakt: |
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 × 7.0 × 4.4 Å. 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. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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