Premium
Rational Design, Synthesis, Biologic Evaluation, and Structure–activity Relationship Studies of Novel 1‐Indanone α 1 ‐Adrenoceptor Antagonists
Author(s) -
Li Minyong,
Xia Lin
Publication year - 2007
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/j.1747-0285.2007.00581.x
Subject(s) - pharmacology , beta adrenoceptor , rational design , structure–activity relationship , chemistry , adrenergic receptor , computational biology , stereochemistry , medicine , biology , biochemistry , receptor , nanotechnology , materials science , in vitro
In the present report, a novel series of 1‐indanone α 1 ‐adrenoceptor antagonists were designed and synthesized based on 3D‐pharmacophore model. Their in vitro α 1 ‐adrenoceptor antagonistic assay showed that three compounds ( 2a , 2m, and 2o ) had similar or improved α 1 ‐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 α 1 ‐adrenoceptor antagonists.