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Bioorg Med Chem Lett. 2015 Mar 15;25(6):1306-9. doi: 10.1016/j.bmcl.2015.01.040. Epub 2015 Jan 28.

Novel thiazole-thiophene conjugates as adenosine receptor antagonists: synthesis, biological evaluation and docking studies.

Author information

1
Department of Medicinal Chemistry, B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre, Sarkhej-Gandhinagar Highway, Thaltej, Ahmedabad 380 054, Gujarat, India.
2
Institut für Pharmakologie und Toxikologie, Julius-Maximilians-Universität Würzburg, Germany.
3
Department of Medicinal Chemistry, B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre, Sarkhej-Gandhinagar Highway, Thaltej, Ahmedabad 380 054, Gujarat, India. Electronic address: kamalav@perdcentre.com.

Abstract

Here we report novel thiazole-thiophene conjugates as adenosine receptor antagonists. All the molecules were evaluated for their binding affinity for adenosine receptors. Most of the molecules were found to interact with the A1, A2A and A3 adenosine receptor subtypes with good affinity values. The most potent and selective compound 8n showed an A3Ki value of 0.33μM with selectivity ratios of >90 versus the A1 and >30 versus the A2 subtypes. For compound 8n docking studies into the binding site of the A3 adenosine receptor are provided to visualize its binding mode.

KEYWORDS:

Adenosine receptors; Molecular docking; Thiazoles; Thiophenes

PMID:
25686851
DOI:
10.1016/j.bmcl.2015.01.040
[Indexed for MEDLINE]

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