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Theoretical elucidation on structure-antioxidant activity relationships for indolinonic hydroxylamines.

Abstract：

:Indolinonic hydroxylamines (IH), representing a new type of antioxidants, are comparative to alpha-tocopherol to protect lipids from oxidation. To elucidate the structure-activity relationship for IH, B3LYP/6-31G(d, p) method was employed to calculate the O-H bond dissociation enthalpy (BDE), a theoretical parameter to characterize the free radical scavenging activity. By constructing several model molecules, it was revealed that hydroxylamine was the key structural factor for this type of antioxidants, and substituents had little effect on the O-H BDE. If the =NR of IH was substituted by =O, its activity got lower.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Zhang HY,Wang LF

doi

10.1016/s0960-894x(01)00724-7

subject

Has Abstract

pub_date

2002-01-21 00:00:00

pages

225-7

issue

2

eissn

0960-894X

issn

1464-3405

pii

S0960894X01007247

journal_volume

12

pub_type

杂志文章

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