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Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.

Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.

Author information

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

Abstract

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.

PMID:
15664832
DOI:
10.1016/j.bmcl.2004.11.032
[Indexed for MEDLINE]

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