The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family
| Autor: | Tom R. Webb, Neli Melman, Dmitriy Lvovskiy, Xiao-duo Ji, Kenneth A. Jacobson |
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| Rok vydání: | 2000 |
| Předmět: |
Databases
Factual Stereochemistry Clinical Biochemistry Molecular Conformation Information Storage and Retrieval Pharmaceutical Science Adenosine-5'-(N-ethylcarboxamide) Ligands Biochemistry Article Structure-Activity Relationship Drug Discovery Molecular Biology Flavonoids Chemistry Receptor Adenosine A3 Organic Chemistry Receptors Purinergic P1 Triazoles Adenosine receptor Kinetics Purinergic P1 Receptor Antagonists Guanosine 5'-O-(3-Thiotriphosphate) Quinazolines Molecular Medicine Pharmacophore |
| Zdroj: | Bioorganic & Medicinal Chemistry Letters. 10:31-34 |
| ISSN: | 0960-894X |
| DOI: | 10.1016/s0960-894x(99)00583-1 |
| Popis: | Pharmacophore queries from previously known potent selective A3 antagonists were generated by Chem-X. These queries were used to search a pharmacophore database of diverse compounds (CNS-SetTM). In vitro assays of 186 ‘hits’ yielded over 30 active compounds, for four adenosine receptor subtypes. This search strategy may also be applicable to the discovery of new ligands via receptor homology data. |
| Databáze: | OpenAIRE |
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