QSAR study of 1,8-naphthyridin-4-ones as inhibitors of photosystem II.
The effect of substituents on in vitro activity of 20 1,8-naphthyridin-4-ones, a novel class of photosystem II inhibitors, was studied. A four-parameter QSAR model based on the molecular connectivity indices was developed which accounts for about 87% of the variations in inhibitory potencies of these compounds. The model suggests that the position, size, and polarity of substituents are factors that predominantly control their activity. By using physicochemical constants, a quantitative model for both 1,8-naphthyridin-4-ones and structurally related 2-trifluoromethyl-4-hydroxyquinoline derivatives was proposed.
Soskić
M
M
Department of Chemistry, Facvulty of Agriculture, University of Zagreb, HR-10001 Zagreb, The Republic of Croatia. msoskic@agr.hr
Plavsić
D
D
D003198:Computer Simulation; D006540:Herbicides / Q000737:chemistry / Q000494:pharmacology; D006912:Hydroxyquinolines / Q000737:chemistry / Q000494:pharmacology; D009287:Naphthyridines / Q000737:chemistry* / Q000494:pharmacology*; D045322:Photosynthetic Reaction Center Complex Proteins / Q000037:antagonists & inhibitors*; D045332:Photosystem II Protein Complex; D021281:Quantitative Structure-Activity Relationship
D006540:Herbicides; D006912:Hydroxyquinolines; D009287:Naphthyridines; D045322:Photosynthetic Reaction Center Complex Proteins; D045332:Photosystem II Protein Complex