VOPROSY MEDITSINSKOI KHIMII (ISSN 0042-8809)

Use of selective inhibitors for computer modeling of the monoamine oxidase active site

   
Veselovsky A.V., Ivanov A.S., Medvedev A.E.
PubMed Id: 9503570
Year: 1997  Volume: 43  Issue: 6  Pages: 527-536
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.
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Keywords: Monoamine oxidase, MAO, inhibitors, computer modeling, structure-activity relationship, QSAR
Citation:

Veselovsky, A. V., Ivanov, A. S., Medvedev, A. E. (1997). Use of selective inhibitors for computer modeling of the monoamine oxidase active site . Voprosy meditsinskoi khimii, 43(6), 527-536.
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