Structure-activity relationships for a collection of structurally diverse inhibitors of purine nucleoside phosphorylase

Values of inhibition constants, K-i, 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 K-i and IC50. These QSAR models have substantial power to predict values and the associated uncertainties for K-i and IC50 for unknown, structurally diverse inhibitors of purine nucleoside phosphorylase.