A DFT method for the study of the antioxidant action mechanism of resveratrol derivatives

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2285-2298

  Benayahoum, Ali ^a   Amira Guebailia, Habiba ^a   Houache, Omar ^b  

^a UNIVERSITY OF GUELMA   (Algeria)

^b SULTAN QABOOS UNIVERSITY   (Oman)

Author keywords

AIP; Antioxidant activity; DFT method; HOMO and LUMO; Spin density; Trans resveratrol

Indexed keywords

2 HYDROXYSTILBENE; 2,4 DIHYDROXY TRANS STILBENE; 2,4,4 TRIHYDROXY TRANS STILBENE; 3,3' DIMETHOXY 4,4' DIHYDROXY TRANS STILBENE; 3,4 DIHYDROXY TRANS STILBENE; 3,5 DIHYDROXY TRANS STILBENE; 4 HYDROXY TRANS STILBENE; 4 HYDROXYSTILBENE; 4,4' DIHYDROXY TRANS STILBENE; ANTIOXIDANT; HYDROGEN; HYDROXYL GROUP; QUINONE DERIVATIVE; RESVERATROL; RESVERATROL DERIVATIVE; UNCLASSIFIED DRUG;

ANTIOXIDANT ACTIVITY; ARTICLE; ATOM; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG MECHANISM; DRUG SCREENING; DRUG STRUCTURE; PHARMACOPHORE; PRIORITY JOURNAL;

ALGORITHMS; ANTIOXIDANTS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; OXIDATION-REDUCTION; STILBENES;

EID: 84878763420     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1770-7     Document Type: Article

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