Some novel 4-(5-methylisoxazol-3-ylamino) thiazole derivatives incorporated with different heterocyclic moieties were synthesized and screened for their anti-inflammatory activity. Compounds (1, 2, 10, 11, 12, 13) screened for their anti-inflammatory activity. Among them, compound 13 showed the greatest anti-inflammatory potency. Furthermore, compound 2 showed the least anti-inflammatory potency. Molecular modeling simulation was done to explore the binding mode of these compounds within active sites of trypsin and bovine serum albumin.