Om, Ae-Son Ryu, Jae-Chun Kim, Jae-Hyoun 2024-01-20T23:03:25Z 2024-01-20T23:03:25Z 2021-09-03 2008-06-30 1738-642X https://pubs.kist.re.kr/handle/201004/133377 The quantitative structure-activity relationship (QSAR) of a set of 35 flavonoid compounds presenting antioxidant activity was established by means of Genetic Algorithm-Multiple Linear Regression (GA-MLR) technique. Four-parametric models for two sets of data, the 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical scavenging activity (R-2=0.788, Q(cv)(2),=0.699 and Q(ext)(2)=0.577) and scavenging activity of reactive oxygen species (ROS) induced by H2O2 (R-2=0.829, Q(cv)(2)= 0.754 and Q(ext)(2)=0.573) were obtained with low external predictive ability on a mass basis, respectively. Each model gave some different mechanistic aspects of the flavonoid compounds tested in terms of the radical scavenging activity. Topological charge, H-bonding complex and deprotonation processes were likely to be involved in the radical scavenging activity. English KOREAN SOCIETY TOXICOGENOMICS & TOXICOPROTEOMICS-KSTT ACTIVITY-RELATIONSHIP MODEL ANTIOXIDANT ACTIVITY PHENOLIC-COMPOUNDS QSAR INHIBITION Quantitative structure-activity relationships for radical scavenging activities of flavonoid compounds by GA-MLR technique Article 1 MOLECULAR & CELLULAR TOXICOLOGY, v.4, no.2, pp.170 - 176 MOLECULAR & CELLULAR TOXICOLOGY 4 2 170 176 scie kci other ART001465532 000257266700012 Biochemistry & Molecular Biology Toxicology Biochemistry & Molecular Biology Toxicology Article ACTIVITY-RELATIONSHIP MODEL ANTIOXIDANT ACTIVITY PHENOLIC-COMPOUNDS QSAR INHIBITION DPPH flavonoids radical scavenging activity reactive oxygen species (ROS) OSAR