ArticleMolecules (Basel, Switzerland)2009
A Selective Pharmacophore Model for beta(2)-Adrenoceptor Agonists.
Article in Molecules (Basel, Switzerland), 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Integrated Computer-Aided Drug Design: Advances in GPCR Natural Ligand Discovery.Cell biochemistry and biophysics · 2026Review
- Undirected Exploration of Binding Pockets with Flexible Topology.Journal of chemical theory and computation · 2025Article
- The translocator protein ligands as mitochondrial functional modulators for the potential anti-Alzheimer agents.Journal of enzyme inhibition and medicinal chemistry · 2021Article
- Article
- Discovery of GPCR ligands for probing signal transduction pathways.Frontiers in pharmacology · 2014Review
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4 authors.
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Abstract
Beta(2)-adrenoceptor selectivity is an important consideration in drug design in order to minimize the possibility of side effects. A selective pharmacophore model was developed based on a series of selective beta(2)-adrenoceptor agonists. The best pharmacophore hypothesis consisted of five chemical features (one hydrogen-bond acceptor, one hydrogen-bond donor, two ring aromatic and one positive ionizable feature). The result was nearly in accordance with the reported interactions between the beta(2)-adrenoceptor and agonists, and it shared enough similar features with the result of field point patterns by FieldTemplater, which mainly validated the pharmacophore model. Moreover, the pharmacophore could predict the selectivity over the beta(1)-adrenoceptor. These results might provide guidance for the rational design of novel potent and selective beta(2)-adrenoceptor agonists.
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