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% in hibition, IC50, for a collection of structurally diverse competitive inhibi tors of calf spleen purine nucleoside phosphorylase have been determined em ploying inosine as substrate. These values have been employed to create pre dictive quantitative structure-activity relationships (QSAR) which link str ucture 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 unk nown, structurally diverse inhibitors of purine nucleoside phosphorylase.