Analysis of the interaction of substituted coumarins with the DPPH free radical by means of multivariate statistics.
The interaction of some substituted coumarin derivatives with the stable 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical was analysed by means of multivariate statistics using a variety of molecular descriptors. The compounds contain a conjugated double bond system, which was considered to be an essential structural characteristic for the free-radical scavenging activity. Partial least-square analysis led to an adequate two-component model based on bulk descriptors and the electronic properties concerning atoms involved or next to the double-bond system.
School of Pharmacy, Department of Pharmaceutical Chemistry, University of Athens, Panepistimiopolis, Zografou, Athens 157 71, Greece.
Demetris
D
Vrakas
Dimitra
D
Hadjipavlou-Litina
Anna
A
Tsantili-Kakoulidou
D001713:Biphenyl Compounds / Q000032:analysis* / Q000737:chemistry / Q000378:metabolism; D003374:Coumarins / Q000032:analysis* / Q000737:chemistry / Q000378:metabolism; D004347:Drug Interactions; D005609:Free Radicals / Q000032:analysis / Q000737:chemistry / Q000378:metabolism; D006834:Hydrazines / Q000032:analysis* / Q000737:chemistry / Q000378:metabolism; D015999:Multivariate Analysis; D010851:Picrates
D001713:Biphenyl Compounds; D003374:Coumarins; D005609:Free Radicals; D006834:Hydrazines; D010851:Picrates; C004931:1,1-diphenyl-2-picrylhydrazyl