1. Synthesis and docking studies of thiophene scaffolds in COX-2.
- Author
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Singh, Parvesh, Sharma, Parul, Bisetty, Krishna, and Mahajan, Mohinder P.
- Subjects
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THIOPHENES , *CHEMICAL synthesis , *CARBON monoxide , *CHEMICAL reactions , *THIONES , *KETONES , *RING formation (Chemistry) - Abstract
A series of new thiophene compounds 6a-6l was synthesized from the reactions of in situ generated cross-conjugated enaminothiones 2 and a-bromoketones/ethyl bromoacetate. Moreover, the synthesis of 1,3-thiazine 12 and functionalized thiopyran 18 heterocycles from the cycloaddition reactions of N,N'-bis[(dimethylamino)methylene]thiourea 9, is also described. Additionally, the binding conformations of these compounds 6a-6l and some anti-inflammatory drugs (NSAIDs) were determined by their docking in the active site of the Cyclooxygenase-2 (COX-2) enzyme. [ABSTRACT FROM AUTHOR]
- Published
- 2011