Theoretical investigation of cyclooxygenase inhibition property of several non-steroidal anti-inflammatory drugs by density functional theory calculations and molecular docking studies
Understanding the geometry and electronic properties of non-steroidal anti-inflammatory drugs (NSAIDs) and the nature of their interactions with human cyclooxygenase-2 (COX-2) is important in the development and design of novel NSAIDs. In this paper, B3LYP/6-311++G (d,p) level of theory was applied...
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Shiraz University of Medical Sciences,
2015-12-01T00:00:00Z.
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