Repair Activity of trans-Resveratrol toward 2′-Deoxyguanosine Radicals
Xing Cheng, Ping An, Shujin Li, Liping Zhou
文献索引：10.1021/acs.jpcb.7b12100
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摘要
In the present study, the repair activity of trans-resveratrol toward 2′-deoxyguanosine (dGuo) radicals in polar and nonpolar solvents was studied using density functional theory. The hydrogen transfer/proton coupled electron transfer and single electron transfer (SET) mechanisms between trans-resveratrol and dGuo-radicals were considered. Taking into consideration the molar fraction of neutral trans-resveratrol (ROH) and anionic trans-resveratrol (RO–), the overall rate constants for repairing dGuo-radicals by trans-resveratrol are 9.94 × 108 and 2.01 × 109 dm3 mol–1 s–1 in polar and nonpolar solvents, respectively, and the overall rate constant of repairing cation radical (dGuo•+) by trans-resveratrol via an SET mechanism is 7.17 × 109 dm3 mol–1 s–1. The repair activity of RO– toward dGuo-radicals is better than that of ROH, but the repair activity of ROH toward dGuo•+ is better than that of RO–. Unfortunately, neither ROH nor RO– can repair the 2′-deoxyribose radicals of dGuo. It can therefore be concluded that trans-resveratrol is an effective antioxidant for repairing base radicals of dGuo and dGuo•+. The study can help us understand the repair activity of trans-resveratrol toward dGuo radicals.