[Use of selective inhibitors for computer modeling of the monoamine oxidase active site].
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.
Veselovskiĭ
A V
AV
Institute of Biomedical Chemistry, Moscow, Russia.
Ivanov
A S
AS
Medvedev
A E
AE
D001665:Binding Sites; D003198:Computer Simulation; D015394:Molecular Structure; D008995:Monoamine Oxidase / Q000737:chemistry / Q000378:metabolism*; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry*; D011487:Protein Conformation
D008996:Monoamine Oxidase Inhibitors; D008995:Monoamine Oxidase
Ispol'zovanie selektivnykh ingibitorov dlia komp'iuternogo modelirovaniia aktivnogo tsentra monoaminoksidaz.