Radical Scavenging Activity of Puerarin: A Theoretical Study.

ABSTRACT: Puerarin is a C-glycoside of daidzein, one of the major bioactive ingredients isolated from the root of Puerarialobata, which has a wide spectrum of pharmacological effects. Although puerarin is well-known for its effective antioxidant activity, there is seldom a systematic theoretical study on its radical scavenging activity. Herein, the free radical scavenging ability of puerarin was investigated systematically by density functional theory (DFT) calculations. The reaction activity was compared with daidzein as well. Three reaction pathways: hydrogen atom transfer (HAT), single electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET) were discussed and compared by thermodynamic parameters such as bond dissociation enthalpy (BDE), ionizat

SUBMITTER: Zhou H 

PROVIDER: S-EPMC6943502 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature