Gundogdu-Hizliates, Cevher published the artcileSynthesis of new ibuprofen derivatives with their in silico and in vitro cyclooxygenase-2 inhibitions, Quality Control of 6346-09-4, the publication is Bioorganic Chemistry (2014), 8-15, database is CAplus and MEDLINE.
Cyclooxygenase-2 (COX-2) is one of the important targets for treatment of inflammation related diseases. In the literature, most of drug candidates are first synthesized and then their COX-2 inhibitory activities are tested by in vitro and in vivo experiments However, synthesis of dozens of drug analogs without any interpretations on their inhibitory activity can result in loss of time and chems. Therefore, synthetic drug designs with mol. modeling are of importance to synthesize selective drug candidates against inflammatory diseases. The synthesis of the novel ibuprofen derivatives through their in silico and in vitro COX-2 inhibitory activities were investigated in the present study. Starting from ibuprofen, ibuprofen amide and ibuprofen acyl hydrazone derivatives were synthesized. According to the results of the in silico mol. docking and in vitro enzyme inhibition studies, the synthesized novel ibuprofen derivatives have selective COX-2 inhibition, and mol. 3a and 3c were showed higher inhibition compared to ibuprofen. In conclusion, the newly synthesized ibuprofen derivatives can be used in model in vivo studies.
Bioorganic Chemistry published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, Quality Control of 6346-09-4.
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