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 α_1A-adrenocepter antagonists.