Structure-activity relationships for a collection of structurally diverse inhibitors of purine nucleoside phosphorylase.
Values of inhibition constants, Ki, and concentrations required for 50% inhibition, IC50, for a collection of structurally diverse competitive inhibitors of calf spleen purine nucleoside phosphorylase have been determined employing inosine as substrate. These values have been employed to create predictive quantitative structure-activity relationships (QSAR) which link structure to values of Ki and IC50. These QSAR models have substantial power to predict values and the associated uncertainties for Ki and IC50 for unknown, structurally diverse inhibitors of purine nucleoside phosphorylase.
Andricopulo
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College of Pharmacy, University of Michigan, Ann Arbor 48109, USA. aandrico@umich.edu
Yunes
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D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D011683:Purine-Nucleoside Phosphorylase / Q000037:antagonists & inhibitors*; D021281:Quantitative Structure-Activity Relationship
D004791:Enzyme Inhibitors; D011683:Purine-Nucleoside Phosphorylase