Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family.

Literature DB >> 10636237

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

T R Webb¹, N Melman, D Lvovskiy, X D Ji, K A Jacobson.

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.

Mesh：

Substances：

Year: 2000 PMID： 10636237 PMCID： PMC5553072 DOI： 10.1016/s0960-894x(99)00583-1

Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823

17 in total

1. Use of the triazolotriazine [3H]ZM 241385 as a radioligand at recombinant human A2B adenosine receptors.

Authors: X D Ji; K A Jacobson
Journal: Drug Des Discov Date: 1999-11

2. Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists.

Authors: Y Karton; J L Jiang; X D Ji; N Melman; M E Olah; G L Stiles; K A Jacobson
Journal: J Med Chem Date: 1996-06-07 Impact factor: 7.446

Review 3. 3D database searching in drug design.

Authors: Y C Martin
Journal: J Med Chem Date: 1992-06-12 Impact factor: 7.446

4. (E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists.

Authors: J Shimada; F Suzuki; H Nonaka; A Ishii; S Ichikawa
Journal: J Med Chem Date: 1992-06-12 Impact factor: 7.446

Review 5. Adenosine A2B receptors.

Authors: I Feoktistov; I Biaggioni
Journal: Pharmacol Rev Date: 1997-12 Impact factor: 25.468

6. Derivatives of the triazoloquinazoline adenosine antagonist (CGS15943) are selective for the human A3 receptor subtype.

Authors: Y C Kim; X D Ji; K A Jacobson
Journal: J Med Chem Date: 1996-10-11 Impact factor: 7.446

7. Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking.

Authors: S Moro; A H Li; K A Jacobson
Journal: J Chem Inf Comput Sci Date: 1998 Nov-Dec

8. 1,3-Dipropyl-8-[2-(5,6-epoxy)norbornyl]xanthine, a potent, specific and selective A1 adenosine receptor antagonist in the guinea pig heart and brain and in DDT1MF-2 cells.

Authors: L Belardinelli; J C Shryock; Y Zhang; P J Scammells; R Olsson; D Dennis; P Milner; J Pfister; S P Baker
Journal: J Pharmacol Exp Ther Date: 1995-12 Impact factor: 4.030

9. A novel class of adenosine A3 receptor ligands. 2. Structure affinity profile of a series of isoquinoline and quinazoline compounds.

Authors: J E van Muijlwijk-Koezen; H Timmerman; R Link; H van der Goot; A P Ijzerman
Journal: J Med Chem Date: 1998-10-08 Impact factor: 7.446

Review 10. Adenosine A3 receptors: novel ligands and paradoxical effects.

Authors: K A Jacobson
Journal: Trends Pharmacol Sci Date: 1998-05 Impact factor: 14.819

8 in total

1. Chapter 13. A₃ Adenosine Receptors.

Authors: Kenneth A Jacobson; Susanna Tchilibon; Bhalchandra V Joshi; Zhan-Guo Gao
Journal: Annu Rep Med Chem Date: 2003 Impact factor: 1.059

Review 2. The Gewald multicomponent reaction.

Authors: Yijun Huang; Alexander Dömling
Journal: Mol Divers Date: 2010-02-27 Impact factor: 2.943

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

1. Use of the triazolotriazine [3H]ZM 241385 as a radioligand at recombinant human A2B adenosine receptors.

2. Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists.

Review 3. 3D database searching in drug design.

4. (E)-1,3-dialkyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthines: potent and selective adenosine A2 antagonists.

Review 5. Adenosine A2B receptors.

6. Derivatives of the triazoloquinazoline adenosine antagonist (CGS15943) are selective for the human A3 receptor subtype.

7. Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking.

8. 1,3-Dipropyl-8-[2-(5,6-epoxy)norbornyl]xanthine, a potent, specific and selective A1 adenosine receptor antagonist in the guinea pig heart and brain and in DDT1MF-2 cells.

9. A novel class of adenosine A3 receptor ligands. 2. Structure affinity profile of a series of isoquinoline and quinazoline compounds.

Review 10. Adenosine A3 receptors: novel ligands and paradoxical effects.

1. Chapter 13. A₃ Adenosine Receptors.

Review 2. The Gewald multicomponent reaction.

Review 3. Ribose modified nucleosides and nucleotides as ligands for purine receptors.

Review 4. Structurally related nucleotides as selective agonists and antagonists at P2Y1 receptors.

5. Selective A₃ Adenosine Receptor Antagonist Radioligand for Human and Rodent Species.

6. Quinazolines as adenosine receptor antagonists: SAR and selectivity for A2B receptors.

7. Search for the pharmacophore of histone deacetylase inhibitors using pharmacophore query and docking study.

8. Ethyl 3-amino-5-anilino-4-cyano-thio-phene-2-carboxyl-ate.