Hydroxyl Radical Scavenging of Indole-3-Carbinol: A Mechanistic and Kinetic Study.

ABSTRACT: Indole-3-carbinol (I3C) is the product of the enzymatic hydrolysis of glucobrassicin in the human body. I3C exhibits diverse bioactivities. It is used as a supplement to enhance the efficiency of some cancer therapies and is available as an over-the-counter dietary supplement described as a potential antioxidant, among other health benefits. Thus, it is important to develop an in-depth understanding of its antioxidant activity. In this study, the hydroxyl radical scavenging of I3C has been investigated in silico under physiologically relevant conditions (aqueous and lipid-mimetic pentyl ethanoate environment) using thermochemical and kinetic calculations. For benchmarking purposes, the results were compared to known experimental data. The overall reaction rate constant of the HO^•

SUBMITTER: Vo QV 

PROVIDER: S-EPMC6868896 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature