Rational Design, Synthesis, Biologic Evaluation, and Structure–activity Relationship Studies of Novel 1‐Indanone α1‐Adrenoceptor Antagonists

In the present report, a novel series of 1-indanone α1-adrenoceptor antagonists were designed and synthesized based on 3D-pharmacophore model. Their in vitroα1-adrenoceptor antagonistic assay showed that three compounds (2a, 2m, and 2o) had similar or improved α1-adrenoceptor antagonistic activities relative to the positive control prazosin. Based on these results, a three-dimensional quantitative structure–activity relationship study was performed using a Self-Organizing Molecular Field Analysis method to provide insight for the future development of α1-adrenoceptor antagonists.