Veselovskiĭ A V, Ivanov A S, Medvedev A E
Institute of Biomedical Chemistry, Moscow, Russia.
Vopr Med Khim. 1997 Nov-Dec;43(6):527-36.
Monoamine oxidase (MAO) is an integral protein of the outer mitochondrial membrane, catalysing the reaction of oxidative deamination of monoamines in the central nervous system and peripheral tissues. The present paper reviews data on the structure of MAO, approaches and methods of computer modeling of active site structure, based on the analysis of MAO inhibition by selective inhibitors Flexible molecules, possessing many conformers are useless for computer modeling. Competitive fully reversible MAO inhibitors with rigid structure and limited number of conformers are preferential compounds for these studies.
单胺氧化酶（MAO）是线粒体外膜的一种整合蛋白，催化中枢神经系统和外周组织中单胺的氧化脱氨反应。本文基于对MAO选择性抑制剂抑制作用的分析，综述了有关MAO结构、活性位点结构计算机建模方法的数据。具有许多构象异构体的柔性分子对于计算机建模并无用处。具有刚性结构且构象异构体数量有限的竞争性完全可逆MAO抑制剂是这些研究的首选化合物。
