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Title: Design, microwave-assisted synthesis and in silico docking studies of new 4H-pyrimido[2,1-b]benzothiazole-2-arylamino-3-cyano-4-ones as possible adenosine A2B receptor antagonists
Authors: Balakumar, C
Kishore, D Pran
Rao, K Venkat
Narayana, B Lakshmi
Rajwinder, K
Rajkumar, V
Rao, A Raghuram
Keywords: 4H-pyrimido[2,1-b]benzothiazole-4-one;Adenosine receptor antagonists;docking studies;Microwave-assisted organic synthesis;GOLD
Issue Date: Aug-2012
Publisher: NISCAIR-CSIR, India
Abstract: A series of new 4H-pyrimido[2,1-b]benzothiazole-2-arylamino-3-cyano-4-ones 6a-g have been designed and synthesized by the application of microwave-assisted organic synthesis (MAOS) technique. In silico docking studies have been carried out to gain an insight into the hypothetical binding motif of the title compounds using a homology model of A2B adenosine receptor employing GOLD (CCDC, 4.0.1 version) software. The binding modes are proposed on the basis of molecular docking studies.
Page(s): 1105-1113
ISSN: 0975-0983(Online); 0376-4699(Print)
Appears in Collections:IJC-B Vol.51B(08) [August 2012]

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