Redox ranking of inducers of a cancer-protective enzyme via the energy of their highest occupied molecular orbital.
Details
Serval ID
serval:BIB_D4B7E91E27D1
Type
Article: article from journal or magazin.
Collection
Publications
Institution
Title
Redox ranking of inducers of a cancer-protective enzyme via the energy of their highest occupied molecular orbital.
Journal
Free radical biology & medicine
ISSN
0891-5849 (Print)
ISSN-L
0891-5849
Publication state
Published
Issued date
01/06/2004
Peer-reviewed
Oui
Volume
36
Number
11
Pages
1418-1423
Language
english
Notes
Publication types: Journal Article ; Research Support, U.S. Gov't, P.H.S.
Publication Status: ppublish
Publication Status: ppublish
Abstract
Induction of phase 2 enzymes is a major strategy in chemoprotection against cancer. Inducers belong to nine different chemical classes. In this study we found that a measure of the tendency of 30 plant phenylpropenoids and synthetic analogs to release electrons correlates linearly with their potency in inducing the activity of NAD(P)H:quinone reductase (NQO1), a prototypic phase 2 cancer-protective enzyme. The tendency to release electrons was determined by the energy of the highest occupied molecular orbital (E(HOMO)), calculated by simple quantum-mechanical methods. The correlations observed establish a clear conclusion: the smaller the absolute E(HOMO) of an agent, A, i.e., the lower its reduction potential, E(A*+/A), the stronger is its electron donor property and the greater its inducer potency. The finding of this redox ranking of the inducers demonstrates the possibility of controlling and predicting the genetic expression of an enzymatic defense against cancer by xenobiotics via one physicochemical parameter, the reduction potential, E(A*+/A).
Keywords
Enzyme Induction, NAD(P)H Dehydrogenase (Quinone)/biosynthesis, NAD(P)H Dehydrogenase (Quinone)/metabolism, Neoplasms/enzymology, Neoplasms/prevention & control, Oxidation-Reduction
Pubmed
Web of science
Create date
05/02/2018 15:03
Last modification date
21/08/2019 5:37