Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B

European Journal of Medicinal Chemistry

Volumn 48, Issue , 2012, Pages 284-295

  Distinto, Simona ^a   Yáñez, Matilde ^b   Alcaro, Stefano ^a   Cardia, M Cristina ^c   Gaspari, Marco ^a   Sanna, M Luisa ^c   Meleddu, Rita ^c   Ortuso, Francesco ^a   Kirchmair, Johannes ^d   Markt, Patrick ^d   Bolasco, Adriana ^e   Wolber, Gerhard ^f   Secci, Daniela ^e   MacCioni, Elias ^c  

^a UNIVERSITY MAGNA GRAECIA OF CATANZARO   (Italy)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^c UNIVERSITY OF CAGLIARI   (Italy)

^d UNIVERSITY OF INNSBRUCK   (Austria)

^e SAPIENZA UNIVERSITY OF ROME   (Italy)

^f FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

FEP; GRID; Induced fit docking; MAO B inhibitors; Molecular dynamics

Indexed keywords

1 (2 METHYLBENZYLIDENE) 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (2 METHYLBENZYLIDENE) 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (3,4 DIMETHOXYBENZYLIDENE) 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (3,4 DIMETHOXYBENZYLIDENE) 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (4 CHLOROBENZYLIDENE) 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (4 METHOXYBENZYLIDENE) 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (4 METHOXYBENZYLIDENE) 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (4 METHYLBENZYLIDENE) 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 (4 METHYLBENZYLIDENE) 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 4 CHLOROBENZYLIDENE 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 ARYLIDEN 2 (4 PHENYLTHIAZOL 2 YL)HYDRAZINE DERIVATIVE; 1 BENZYLIDENE 2 [4 (4 CHLOROPHENYL)THIAZOL 2 YL]HYDRAZINE; 1 BENZYLIDENE 2 [4 (4 FLUOROPHENYL)THIAZOL 2 YL]HYDRAZINE; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME A; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME B; CLORGYLINE; HYDRAZINE DERIVATIVE; IPRONIAZID; MOCLOBEMIDE; MONOAMINE OXIDASE B INHIBITOR; SELEGILINE; UNCLASSIFIED DRUG;

ARTICLE; DRUG PROTEIN BINDING; DRUG STRUCTURE; DRUG SYNTHESIS; INSECT; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PROTON NUCLEAR MAGNETIC RESONANCE;

BINDING SITES; HUMANS; HYDRAZONES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; PARKINSON DISEASE; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TANDEM MASS SPECTROMETRY; THIAZOLES;

EID: 84855994429     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.12.027     Document Type: Article

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