Ad. Andricopulo et Ra. Yunes, Structure-activity relationships for a collection of structurally diverse inhibitors of purine nucleoside phosphorylase, CHEM PHARM, 49(1), 2001, pp. 10-17
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.