Improving the antioxidant activity of natural antioxidant honokiol by introducing the amino group

Machine-learning-assisted molecular design of phenylnaphthylamine-type antioxidants

“…MCI descriptors thus contributed more to antioxidant properties than group structure descriptors, indicating that group types and connection modes significantly influence antioxidant performance. This result was in agreement with those of Liu 30 and Ali, 31 who demonstrated the ability of electron-donating groups ( e.g. , –NH 2 ) and some substituent positions ( e.g.…”

“…29 As mentioned previously, studies suggest that AA can be improved by introducing electron-donating groups at the ortho and para positions of the phenyl group. 30–32 In addition to these studies on chemical factors, Abdulfatai et al 29 and Luo et al 33 studied the effects of physical factors on AA by an MD method. They concluded that a higher bonding strength between antioxidants and the matrix leads to lower antioxidant mobility, which is conducive to a better antioxidant effect.…”