In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors

European Journal of Medicinal Chemistry

Volumn 89, Issue , 2015, Pages 98-105

  Pisani, Leonardo ^a   Farina, Roberta ^a   Nicolotti, Orazio ^a   Gadaleta, Domenico ^a   Soto Otero, Ramon ^b   Catto, Marco ^a   Di Braccio, Mario ^c   Mendez Alvarez, Estefania ^b   Carotti, Angelo ^a  

^a UNIVERSITY OF BARI   (Italy)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^c UNIVERSITY OF GENOA   (Italy)

Author keywords

3D QSAR; 4 Substituted 7 (halo)benzyloxy 2H chromene 2 ones; Molecular docking; Monoamine oxidase inhibitors; Parkinson's disease; Selective MAO B inhibitors

Indexed keywords

3 [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]PROPANAMIDE; 3 [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]PROPANENITRILE; 3 [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]PROPANOIC ACID; 7 [(3 CHLOROBENZYL)OXY] 4 (2 CHLOROETHYL) 2H CHROMEN 2 ONE; 7 [(3 CHLOROBENZYL)OXY] 4 (2 HYDROXYETHYL) 2H CHROMEN 2 ONE; 7 [(3 CHLOROBENZYL)OXY] 4 (2 PIPERIDIN 1 YLETHYL) 2H CHROMEN 2 ONE HYDROCHLORIDE; CHROMENE DERIVATIVE; DIETHYL [[7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]METHYL)MALONATE; ETHYL [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]ACETATE; MONOAMINE OXIDASE B INHIBITOR; N 2 [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]GLYCINAMIDE; N [7 (3 CHLOROBENZYLOXY) 2H 2 OXOCHROMEN 4 YL] 2 CHLOROACETAMIDE; UNCLASSIFIED DRUG; [7 [(3 CHLOROBENZYL)OXY] 2 OXO 2H CHROMEN 4 YL]ACETIC ACID; AMINE OXIDASE (FLAVIN CONTAINING); CHROMONE DERIVATIVE; MONOAMINE OXIDASE INHIBITOR;

ARTICLE; CONTROLLED STUDY; DECARBOXYLATION; DRUG DESIGN; DRUG POTENCY; HYDROGEN BOND; LIPOPHILICITY; MOLECULAR DOCKING; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; STEREOSPECIFICITY; ANIMAL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DOSE RESPONSE; MALE; METABOLISM; SPRAGUE DAWLEY RAT; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

ANIMALS; CHROMONES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DESIGN; MALE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RATS, SPRAGUE-DAWLEY;

EID: 84908430587     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.10.029     Document Type: Article

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