Comparative molecular field analysis of dihydropyrimidinone α_(1A)-adrenocepter antagonists

For a series of dihydropyrimidinone compounds,a three-dimensional quantitative-structure activity relationship(3D-QSAR)model was established using comparative molecular field analysis(CoMFA),with cross-checking and non-cross-checking regression coefficients,q2 and r2,of 0.604 and 0.987,respectively,and standard deviation(SEE)of 0.105.This model indicates that the electrostatic field factor is more important than the steric one and provides valuable predictive information for designing new α1A-adrenocepter antagonists.