3D-QSAR Analysis of DDPH derivatives for α1-Adrenoceptor Antagonist Activity

摘要

The study of three-dimensional quantitative structure-activity relationship (3D-QSAR) of DDPH and its derivatives has been performed using Apex-3D programme. The result indicates that substituents of para- and ortho- positions in phenyl ring of aryloxyalkylamine greatly influence the bioactivity. The biophore model and 3D-QSAR equation help us not only further understand receptor-ligand interactions, but also design new compounds with better bioactivity.