Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: Role of Asn181 and Ile335 validated by spectroscopic and computational studies

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1844, Issue 2, 2014, Pages 389-397

  Juárez Jiménez, Jordi ^a   Mendes, Eduarda ^b   Galdeano, Carles ^a   Martins, Carla ^b   Silva, Daniel B ^b   Marco Contelles, José ^c   Do Carmo Carreiras, Maria ^b   Luque, F Javier ^a   Ramsay, Rona R ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b RESEARCH INSTITUTE FOR MEDICINES IMED ULISBOA   (Portugal)

^c INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

^d UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

Altered flavin spectrum; Carbonitrile aminofuran; Docking; Molecular dynamics; Monoamine oxidase; Selective binding

Indexed keywords

AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME A; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME B; AMINO ACID DERIVATIVE; ASPARAGINE; CYANIDE; DICARBONITRILE AMINOHETEROCYCLE; FURAN DERIVATIVE; ISOLEUCINE; KYNURAMINE; MONOAMINE OXIDASE INHIBITOR; NITRILE; QUERCETIN; SELEGILINE; SEMIQUINONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL INTERACTION; CONTROLLED STUDY; ENZYME BINDING; ENZYME INHIBITION; MOLECULAR MODEL; PRIORITY JOURNAL; SPECTROSCOPY; VALIDATION PROCESS;

ALTERED FLAVIN SPECTRUM; CARBONITRILE AMINOFURAN; DOCKING; FAD; FLAVIN ADENINE DINUCLEOTIDE; MAO; MOLECULAR DYNAMICS; MONOAMINE OXIDASE; QM/MM; QUANTUM MECHANICS/MOLECULAR MECHANICS; SELECTIVE BINDING;

ASPARAGINE; BINDING SITES; FLAVIN-ADENINE DINUCLEOTIDE; FURANS; HUMANS; ISOLEUCINE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; PROTEIN INTERACTION DOMAINS AND MOTIFS; SPECTRUM ANALYSIS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84890495975     PISSN: 15709639     EISSN: 18781454     Source Type: Journal    
DOI: 10.1016/j.bbapap.2013.11.003     Document Type: Article

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