Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Mohan Chen, Zheng Li, Gang Sun, Shuang Jin, Xiyue Hao, Chi Zhang, Ling Liu, Ling Zhang, Hongli Liu, Yunsheng Xue
Topics & Concepts
ChemistryRadicalHydroperoxylNon-covalent interactionsSubstituentPhotochemistryElectron transferDensity functional theoryStereochemistryHydrogen bondComputational chemistryOrganic chemistryMoleculeFree Radicals and AntioxidantsPhytochemicals and Antioxidant ActivitiesGenomics, phytochemicals, and oxidative stress