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Simulation of virtually designed 20 compounds as COX-2 inhibitors using molecular modelling of protein–ligand interactions to predict drug structure–activity relationship was performed in this study. A synthetic route with a rational chemical approach to (E)-2-oxo-(thio)-4-substituted phenyl-6-styryl-1,2,3,4-tetrahydro-pyrimidine-5-caboxylic acid was designed and demonstrated. A comparative analysis...
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