对接(动物)
布洛芬
化学
组合化学
立体化学
药理学
医学
护理部
作者
AbdelHameed Selim,Ewies Fawzy,Reem T. Attia,Said Shedid,Mohamed El‐Gazzar
标识
DOI:10.21608/ejchem.2022.130671.5755
摘要
This work aimed to synthesize new Ibuprofen amino acid derivatives as safe non-steroidal anti-inflammatory drugs (NSAIDs).The structures of the synthesized compounds have been determined using various spectral data.For tested compounds, molecular docking was performed into the cyclooxygnase-2 (COX-2) active site.The lowest root-mean-square deviation of atomic positions (RMSD) pose has been chosen for the binding affinity discussion.Docking protocol revealed that the binding interaction increased by the presence of hydrazide fragment in the tested compounds.Passed compounds through docking profile were examined for their anti -inflammatory and analgesic activities.Using a carrageenan-induced mouse model of hind paw edoema, we investigated the potential anti-inflammatory efficacy of the synthetic compounds in comparison to their parent molecule, ibuprofen.In addition to assessing the antinociceptive and ulcerogenic properties of the synthesized compounds
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