An artificial intelligence approach to the study of the structural moieties relevant to drug-receptor interactions in aldose reductase inhibitors.
The computer-automated structure evaluation program has been used to study 482 compounds relevant to the inhibition of the aldose reductase enzyme. Major activating/inactivating fragments were generated automatically. The significance of these molecular descriptors with respect to the activity of the compounds is discussed.
D000449:Aldehyde Reductase / Q000037:antagonists & inhibitors*; D000465:Algorithms; D001185:Artificial Intelligence; D001665:Binding Sites; D015195:Drug Design; D012044:Regression Analysis; D012984:Software; D013329:Structure-Activity Relationship; D013401:Sugar Alcohol Dehydrogenases / Q000037:antagonists & inhibitors*
D013401:Sugar Alcohol Dehydrogenases; D000449:Aldehyde Reductase