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

Article Details

Citation

Li MY, Tsai KC, Xia L

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

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

PubMed ID
15664832 [ View in PubMed
]
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.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
SilodosinAlpha-1A adrenergic receptorKi (nM)0.036N/AN/ADetails
TamsulosinAlpha-1A adrenergic receptorKi (nM)0.2N/AN/ADetails