The chemical feature based pharmacophore was developed for α_1A-adrenoceptor antagonists via train-set consisting of 34 anatagonists by Catalyst software package. The best scoring pharmacophore hypothesis consisted of three important chemical features (one positive ion, one hydrogen-bond acceptor and one aromatic ring). The linear regression coefficient was 0.89. Good predictive ability to biological activities was verified by test-set consisting of 13 antagonists. The result provide a valuable model in designing new leads for α_1A-adrenoceptor antagonists.

Key words: α_1A-adrenoceptor, antagonist, pharmacophore, benign prostatic hyperplasia