Abstract:
:Isothiocyanates (ITC) are well-known chemopreventive agents extracted from vegetables. This activity results from the activation of human oxidoreductase. In this letter, the uncompetitive activatory mechanism of ITC was investigated using docking and molecular dynamics simulations. This indicates that NAD(P)H:quinone oxidoreductase can efficiently improve enzyme-substrate recognition within the catalytic site if the ITC activator supports the interaction in the uncompetitive binding site.
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Mazur P,Magdziarz T,Bak A,Chilmonczyk Z,Kasprzycka-Guttman T,Misiewicz-Krzemińska I,Skupińska K,Polanski Jdoi
10.1007/s00894-009-0628-5subject
Has Abstractpub_date
2010-07-01 00:00:00pages
1205-12issue
7eissn
1610-2940issn
0948-5023journal_volume
16pub_type
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