Correlation analysis of Baker's studies on enzyme inhibition. 2. Chymotrypsin, trypsin, thymidine phosphorylase, uridine phosphorylase, thymidylate synthetase, cytosine nucleoside deaminase, dihydrofolate reductase, malate dehydrogenase, glutamate dehydrogenase, lactate dehydrogenase, and glyceraldehyde-phosphate dehydrogenase.
The inhibitory activity of 1058 inhibitors of the title enzymes has been formulated in 13 equations correlating chemical structure with inhibitory potency. Two types of regions in enzymes have been defined by means of pi and molar refractivity constants. The use of indicator variables has been extensively developed to suggest special enzyme-ligand interactions. Several examples are given of the use of correlation equations in comparing structural features of different systems.
D000818:Animals; D001550:Benzamidines / Q000494:pharmacology; D002279:Carcinoma 256, Walker / Q000201:enzymology; D002918:Chymotrypsin / Q000037:antagonists & inhibitors*; D010856:Columbidae; D003564:Cytidine Deaminase / Q000037:antagonists & inhibitors*; D004926:Escherichia coli / Q000201:enzymology; D005493:Folic Acid Antagonists; D005969:Glutamate Dehydrogenase / Q000037:antagonists & inhibitors*; D005987:Glyceraldehyde-3-Phosphate Dehydrogenases / Q000037:antagonists & inhibitors*; D066298:In Vitro Techniques; D007700:Kinetics; D007770:L-Lactate Dehydrogenase / Q000037:antagonists & inhibitors*; D008099:Liver / Q000201:enzymology; D008291:Malate Dehydrogenase / Q000037:antagonists & inhibitors*; D008780:Methyltransferases / Q000037:antagonists & inhibitors*; D009700:Nucleoside Deaminases / Q000037:antagonists & inhibitors*; D010430:Pentosyltransferases / Q000037:antagonists & inhibitors*; D051381:Rats; D013329:Structure-Activity Relationship; D013940:Thymidylate Synthase / Q000037:antagonists & inhibitors*; D014361:Trypsin Inhibitors; D014543:Uridine Phosphorylase / Q000037:antagonists & inhibitors*
D001550:Benzamidines; D005493:Folic Acid Antagonists; D014361:Trypsin Inhibitors; D007770:L-Lactate Dehydrogenase; D008291:Malate Dehydrogenase; D005987:Glyceraldehyde-3-Phosphate Dehydrogenases; D005969:Glutamate Dehydrogenase; D008780:Methyltransferases; D013940:Thymidylate Synthase; D010430:Pentosyltransferases; D014543:Uridine Phosphorylase; D002918:Chymotrypsin; D009700:Nucleoside Deaminases; D003564:Cytidine Deaminase