Pharmacophore identification of α1A-adrenoceptor antagonists

被引：31

作者：

Li, MY

Tsai, KC

Xia, L ^{[1
]}

机构：

[1] China Pharmaceut Univ, Dept Med Chem, Nanjing 210009, Peoples R China

[2] Natl Tsing Hua Univ, Inst Mol Med, Hsinchu 30013, Taiwan

[3] Natl Tsing Hua Univ, Dept Life Sci, Hsinchu 30013, Taiwan

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2005年 / 15卷 / 03期

关键词：

pharmacophore; alpha; 1A-adrenoceptor; antagonists;

D O I：

10.1016/j.bmcl.2004.11.032

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A chemical feature based pharmacophore model was developed for alpha(1A)-adrenoceptor antagonists by HypoGen module implemented in catalyst software package. The best scoring pharmacophore hypothesis, Hypo1, consisted of four important chemical features (one positive ion, one hydrogen-bond donor, one aromatic ring, and one hydrophobic group). The results of our study provide a valuable tool in designing new leads with desired biological activity by virtual screening. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：657 / 664

页数：8

共 32 条

[1]

*ACC INC, 2003, CAT 4 9 US GUID

[2]

[Anonymous], 1966, PRINCIPLE EXPT ILLUS

[3] Ligand design for α1 adrenoceptor subtype selective antagonists [J].