QSAR study of phosphodiesterase inhibitory activity of imidazo[2,1-b]-quinazolines: active site analysis.

Abstract

Published c-AMP phosphodiesterase inhibitory activities of 7-substituted-1,2,3,5-tetrahydro-2-oxoimidazo[2,1-b]quinazolines are used in a QSAR study to analyse a proposed model of the c-AMP PDE (type IV) active site. Based on the regression equations involving hydrophobic parameters and activities, additional subsites G1 and G2 are identified in the secondary binding region G, and steric hydrophobic tolerance at these subsites is discussed.