OSAR studies on 4-hydroxyquinoline-3-carboxylic acids as inhibitors of cell respiration using molecular connectivity and van der Waals volume.
The enzyme inhibition activities of 4-hydroxyquinoline-3-carboxylic acids against three isolated enzyme systems namely mitochondrial malate dehydrogenase, cytoplasmic malate dehydrogenase, and skeletal muscle lactate dehydrogenase, all involved in respiratory pathway, are found to be significantly correlated with first-order valence molecular connectivity (1 chi v) and van der Waals volume (Vw). The correlations obtained provide much simple rationale to design more active congeners and facilitate the prediction of activity of new compounds.
D000818:Animals; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003593:Cytoplasm / Q000201:enzymology; D007770:L-Lactate Dehydrogenase / Q000037:antagonists & inhibitors*; D008291:Malate Dehydrogenase / Q000037:antagonists & inhibitors*; D008931:Mitochondria, Muscle / Q000201:enzymology; D009132:Muscles / Q000201:enzymology; D010101:Oxygen Consumption / Q000187:drug effects
D007770:L-Lactate Dehydrogenase; D008291:Malate Dehydrogenase