The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family

利用统一药效团查询发现腺苷受体家族的新拮抗剂

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Abstract

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-Set). 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.

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