Application of topological indices for prediction of the biological activity of selected alkoxyphenols.
The topological indices based on adjacency and distance matrices, and electrotopological states were calculated for selected meta and para alkoxyphenols. The toxicities of alkoxyphenols on gram-positive M. pyogenes var. aurens and gram-negative S. typhosa bacteria were calculated on the basis of linear or parabolic equations with one topological index or hydrophobic constants. It was affirmed, that structural descriptors describe better the toxic properties of studied alkoxyphenols than the hydrophobic constants.
Pyka
Alina
A
Silesian Academy of Medicine, Faculty of Pharmacy, 4 Jagiellonska Str., 41-200 Sosnowiec, Poland. alinapyka@wp.pl
D000438:Alcohols / Q000737:chemistry* / Q000633:toxicity; D005544:Forecasting; D006090:Gram-Negative Bacteria / Q000187:drug effects*; D006094:Gram-Positive Bacteria / Q000187:drug effects; D010636:Phenols / Q000737:chemistry* / Q000633:toxicity
D000438:Alcohols; D010636:Phenols; C059688:alkoxyl radical