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Issue 4, 2018
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Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A3 receptor antagonists: SAR and molecular modeling studies

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Abstract

A small-molecule combinatorial library of 24 compounds with 2-aminoimidazole and 2-aminoimidazolyl-thiazole derivatives was synthesized using a 2-chloro trityl resin. The generated compound library was tested against all the human adenosine receptors subtypes. The 2-aminoimidazole derivatives (6a–6l) showed weak to moderate affinity towards the human adenosine receptors. Further modification to 2-aminoimidazolyl-thiazole derivatives (12a–12l) resulted in an improvement of affinity at adenosine A1, A2A and A3 receptor subtypes. Compound 12b was the most potent and selective non-xanthine human adenosine A3 receptor antagonist of this series. A receptor-based modeling study was performed to explore the possible binding mode of these novel 2-aminoimidazole and 2-aminoimidazolyl-thiazole derivatives into human adenosine A1, A2A and A3 receptor subtypes.

Graphical abstract: Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A3 receptor antagonists: SAR and molecular modeling studies

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The article was received on 22 Dec 2017, accepted on 27 Feb 2018 and first published on 13 Mar 2018


Article type: Research Article
DOI: 10.1039/C7MD00643H
Citation: Med. Chem. Commun., 2018,9, 676-684
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    Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A3 receptor antagonists: SAR and molecular modeling studies

    A. N. Pandya, A. B. Baraiya, H. B. Jalani, D. Pandya, J. C. Kaila, S. Kachler, V. Salmaso, S. Moro, K. Klotz and K. K. Vasu, Med. Chem. Commun., 2018, 9, 676
    DOI: 10.1039/C7MD00643H

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