3D-QSAR Investigation of Synthetic Antioxidant Chromone Derivatives by Molecular Field Analysis

• Published in: International journal of molecular sciences Vol. 9; no. 3; pp. 235 - 246
• Main Authors: Samee, Weerasak, Nunthanavanit, Patcharawee, Ungwitayatorn, Jiraporn
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 01.03.2008; Molecular Diversity Preservation International (MDPI)
• Subjects: Alzheimer's disease; Antioxidants; Flavonoids; Free radicals; Full Research Paper; Investigations; Pharmacy; Thailand; Antioxidants; 3D-QSAR; Genetic partial least squares (G/PLS) method; Molecular field analysis (MFA); Chromone

A series of 7-hydroxy, 8-hydroxy and 7,8-dihydroxy synthetic chromone derivatives was evaluated for their DPPH free radical scavenging activities. A training set of 30 synthetic chromone derivatives was subject to three-dimensional quantitative structure-activity relationship (3D-QSAR) studies using...