合成、生物评价及吡唑衍生物作为选择性 COX-2 抑制剂和抗炎剂的分子建模研究。
Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents.
机构信息
Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India.
Department of Chemistry, Faculty of Science, Banaras Hindu University, Varanasi 221 005, India.
出版信息
Bioorg Chem. 2014 Oct;56:8-15. doi: 10.1016/j.bioorg.2014.05.004. Epub 2014 May 16.
A novel series of pyrazole derivatives were synthesized and evaluated in vivo for their anti-inflammatory activity in carrageenan-induced rat paw edema model. Among all compounds, 5a, and 5b showed comparable anti-inflammatory activity to Nimesulide, the standard drug taken for the studies. In silico (docking) studies were carried out to investigate the theoretical binding mode of the compounds to target the cyclooxygenase (COX-2) using Autodock 4.2.
合成了一系列新型吡唑衍生物，并在角叉菜胶诱导的大鼠足肿胀模型中进行了体内抗炎活性评价。在所有化合物中，5a 和 5b 表现出与研究中使用的标准药物尼美舒利相当的抗炎活性。通过 Autodock 4.2 进行了计算机模拟（对接）研究，以研究化合物与环氧化酶（COX-2）的理论结合模式。
Zotero 插件