Does molecular docking reveal alternative chemopreventive mechanism of activation of oxidoreductase by sulforaphane isothiocyanates?

Journal of Molecular Modeling

Volumn 16, Issue 7, 2010, Pages 1205-1212

  Mazur, Pawel ^a   Magdziarz, Tomasz ^a   Bak, Andrzej ^a   Chilmonczyk, Zdzislaw ^b,c   Kasprzycka Guttman, Teresa ^c   Misiewicz Krzemińska, Irena ^c   Skupińska, Katarzyna ^c   Polanski, Jaroslaw ^a  

^a UNIVERSITY OF SILESIA   (Poland)

^b UNIVERSITY OF RZESZÓW   (Poland)

^c NATIONAL MEDICINES INSTITUTE   (Poland)

Author keywords

Docking; Indoquinoline; Isothiocyanates; Molecular dynamics; Oxidoreductase; Sulforaphane

Indexed keywords

ISOTHIOCYANIC ACID DERIVATIVE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE DEHYDROGENASE (UBIQUINONE); SULFORAPHANE;

ARTICLE; BINDING SITE; DRUG STRUCTURE; ENZYME ACTIVATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

ANTINEOPLASTIC AGENTS; ASPARAGINE; BINDING SITES; CATALYTIC DOMAIN; ENZYME ACTIVATION; HUMANS; ISOTHIOCYANATES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAD(P)H DEHYDROGENASE (QUINONE); PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SUBSTRATE SPECIFICITY; THIOCYANATES;

EID: 77955092204     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0628-5     Document Type: Article

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