Matches in SemOpenAlex for { <https://semopenalex.org/work/W841412661> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W841412661 endingPage "271" @default.
- W841412661 startingPage "265" @default.
- W841412661 abstract "The article summarized results of studies on active site structures of monoamine oxidases (MAO) performed in the Institute of Biomedical Chemistry (Russia) by computer modelling approaches. MAO, catalyzing the reaction of oxidative deamination of major neurotransmitter monoamines, exists in two highly homologous forms, MAO A and MAO B, distinguished by substrate specificity and inhibitor selectivity. The development of approaches for active site modelling of these enzymes (with unknown three-dimensional structures) started from analysis of relationship between the geometrical sizes of rigid indole and isatin derivatives and their inhibitory activity. These studies resulted in molding of the active site structures of MAO A and MAO B. These molds reflect the sizes and shapes of active sites of these enzymes. These mold models have been used for virtual screening of molecular databases for new inhibitors. The models obtained at different stages of MAO investigations have been compared with recently appeared three-dimensional structures of MAO A and MAO B.Obobshcheny rezul'taty mnogoletneĭ raboty po issledovaniiu struktury aktivnykh tsentrov monoaminoksidaz (MAO) metodami komp'iuternogo modelirovaniia, vypolnennykh v Institute biomeditsinskoĭ khimii (IBMKh). MAO prisutstvuet v organizme mlekopitaiushchikh v vide dvukh vysokogomologichnykh belkov (MAO A i MAO B), otlichaiushchikhsia po substratnoĭ spetsifichnosti, ingibitornoĭ selektivnosti i drugim svoĭstvam. Pokazano razvitie podkhodov po modelirovaniiu struktury aktivnykh tsentrov fermentov s neizvestnoĭ prostranstvennoĭ strukturoĭ na osnove selektivnykh ingibitorov. Otpravnoĭ tochkoĭ issledovaniĭ posluzhila obnaruzhennaia zavisimost' mezhdu geometricheskimi razmerami konformatsionno zhestkikh molekul ingibitorov i velichinoĭ ikh ingibitornoĭ aktivnosti. Posleduiushchie raboty priveli k sozdaniiu modeli slepka aktivnogo tsentra, kotoryĭ otrazhal geometricheskie razmery i formu aktivno go tsentra. Pokazana vozmozhnost' ego ispol'zovaniia dlia poiska novykh ingibitorov v molekuliarnykh bazakh dannykh. Privedeny rezul'taty raboty po poisku selektivnykh i neselektivnykh ingibitorov MAO. Provedeno sravnenie poluchennykh modeleĭ so strukturoĭ aktivnykh tsentrov kristallicheskikh struktur MAO, poluchennykh pozdnee." @default.
- W841412661 created "2016-06-24" @default.
- W841412661 creator A5048978293 @default.
- W841412661 creator A5066560041 @default.
- W841412661 creator A5087661470 @default.
- W841412661 date "2015-01-01" @default.
- W841412661 modified "2023-10-16" @default.
- W841412661 title "Computer modelling of monoaminoxidases" @default.
- W841412661 cites W147272213 @default.
- W841412661 cites W1578308876 @default.
- W841412661 cites W1973328852 @default.
- W841412661 cites W1982148397 @default.
- W841412661 cites W1990917194 @default.
- W841412661 cites W1992456204 @default.
- W841412661 cites W1997350458 @default.
- W841412661 cites W1999362278 @default.
- W841412661 cites W2001594153 @default.
- W841412661 cites W200320813 @default.
- W841412661 cites W2010396940 @default.
- W841412661 cites W2010561544 @default.
- W841412661 cites W2010777154 @default.
- W841412661 cites W2012516949 @default.
- W841412661 cites W2013999225 @default.
- W841412661 cites W2019066831 @default.
- W841412661 cites W2023787705 @default.
- W841412661 cites W2029767858 @default.
- W841412661 cites W2050018668 @default.
- W841412661 cites W2051218940 @default.
- W841412661 cites W2063288595 @default.
- W841412661 cites W2066853988 @default.
- W841412661 cites W2073401312 @default.
- W841412661 cites W2074132787 @default.
- W841412661 cites W2079154850 @default.
- W841412661 cites W2083025106 @default.
- W841412661 cites W2089132780 @default.
- W841412661 cites W2089183687 @default.
- W841412661 cites W2091806755 @default.
- W841412661 cites W2109424852 @default.
- W841412661 cites W2114524477 @default.
- W841412661 cites W2330764340 @default.
- W841412661 cites W2333060738 @default.
- W841412661 cites W4230695367 @default.
- W841412661 doi "https://doi.org/10.18097/pbmc20156102265" @default.
- W841412661 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25978392" @default.
- W841412661 hasPublicationYear "2015" @default.
- W841412661 type Work @default.
- W841412661 sameAs 841412661 @default.
- W841412661 citedByCount "1" @default.
- W841412661 countsByYear W8414126612022 @default.
- W841412661 crossrefType "journal-article" @default.
- W841412661 hasAuthorship W841412661A5048978293 @default.
- W841412661 hasAuthorship W841412661A5066560041 @default.
- W841412661 hasAuthorship W841412661A5087661470 @default.
- W841412661 hasBestOaLocation W8414126611 @default.
- W841412661 hasConcept C114461151 @default.
- W841412661 hasConcept C181199279 @default.
- W841412661 hasConcept C185592680 @default.
- W841412661 hasConcept C197974221 @default.
- W841412661 hasConcept C2776024655 @default.
- W841412661 hasConcept C39398028 @default.
- W841412661 hasConcept C41183919 @default.
- W841412661 hasConcept C55493867 @default.
- W841412661 hasConcept C71240020 @default.
- W841412661 hasConceptScore W841412661C114461151 @default.
- W841412661 hasConceptScore W841412661C181199279 @default.
- W841412661 hasConceptScore W841412661C185592680 @default.
- W841412661 hasConceptScore W841412661C197974221 @default.
- W841412661 hasConceptScore W841412661C2776024655 @default.
- W841412661 hasConceptScore W841412661C39398028 @default.
- W841412661 hasConceptScore W841412661C41183919 @default.
- W841412661 hasConceptScore W841412661C55493867 @default.
- W841412661 hasConceptScore W841412661C71240020 @default.
- W841412661 hasIssue "2" @default.
- W841412661 hasLocation W8414126611 @default.
- W841412661 hasLocation W8414126612 @default.
- W841412661 hasOpenAccess W841412661 @default.
- W841412661 hasPrimaryLocation W8414126611 @default.
- W841412661 hasRelatedWork W1601573087 @default.
- W841412661 hasRelatedWork W1918412670 @default.
- W841412661 hasRelatedWork W2006881798 @default.
- W841412661 hasRelatedWork W2021713017 @default.
- W841412661 hasRelatedWork W2129856582 @default.
- W841412661 hasRelatedWork W2205908672 @default.
- W841412661 hasRelatedWork W2409539278 @default.
- W841412661 hasRelatedWork W3024103256 @default.
- W841412661 hasRelatedWork W71296358 @default.
- W841412661 hasRelatedWork W2789740870 @default.
- W841412661 hasVolume "61" @default.
- W841412661 isParatext "false" @default.
- W841412661 isRetracted "false" @default.
- W841412661 magId "841412661" @default.
- W841412661 workType "article" @default.