Pharmacophore-based design, synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as alpha(1)-adrenoceptor antagonists

Min-Yong Li; Hao Fang; Lin Xia

doi:10.1016/j.bmcl.2005.05.003

Pharmacophore-based design, synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as alpha(1)-adrenoceptor antagonists

Bioorg Med Chem Lett. 2005 Jul 1;15(13):3216-9. doi: 10.1016/j.bmcl.2005.05.003.

Authors

Min-Yong Li¹, Hao Fang, Lin Xia

Affiliation

¹ Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China.

PMID: 15935663
DOI: 10.1016/j.bmcl.2005.05.003

Abstract

Phenyl-piperazines were designed and synthesized based on pharmacophore for uro-selective alpha(1)-adrenoceptor antagonists and 3D chemical database searching. Within this series, three compounds, 2, 3, and 13, showed similar or better alpha(1)-AR antagonistic activity compared with prazosin. The 3D-QSAR study of these compounds may provide useful information for the development of novel aryl-piperazines as uro-selective alpha(1)-adrenoceptor antagonists, which can be used for the treatment of BPH with fewer side effects.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Adrenergic alpha-1 Receptor Antagonists*
Adrenergic alpha-Antagonists / chemical synthesis*
Adrenergic alpha-Antagonists / pharmacology
Databases, Factual
Drug Design*
Humans
Male
Piperazines / chemical synthesis*
Piperazines / pharmacology
Prazosin
Prostatic Hyperplasia / drug therapy
Quantitative Structure-Activity Relationship*
Structure-Activity Relationship

Substances

Adrenergic alpha-1 Receptor Antagonists
Adrenergic alpha-Antagonists
Piperazines
Prazosin