期刊文献+

3-酰胺基喹唑啉酮类化合物合成与环氧合酶-2分子对接抗炎活性预测研究

Synthesis and molecular docking analysis of 3-acylaminoquinazolin-4(1 H)-ones as potential anti-inflammatory agents
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摘要 采用以纳米氧化铜为催化剂,乙醇为溶剂,靛红酸酐、酰肼、芳香醛为底物,80℃条件下一锅法合成得到了一系列3-酰胺基喹唑啉酮类化合物,产物通过核磁共振氢谱、核磁共振碳谱、红外等手段进行结构表征.利用Autodock 4.0分子对接软件对得到的系列化合物进行分子对接模拟.结果显示其对参与生物体抗炎活动的环氧合酶-2(COX-2)有潜在的抑制活性,可以作为一种潜在的抗炎药物. 3‐Acylaminoquinazolin‐4 (1 H )‐ones were synthesised by a one‐pot three compo‐nents reaction of isatoic anhydride ,aldehydes and hydrazides in the presence of nano‐CuO in ethanol .The structures of products were characterized by 1 H‐NMR ,13C‐NMR ,IR spectrum . The results of molecular docking showed that all the compounds have potential anti‐inflam‐matory inhibitory activity by Autodock 4 .0 .
出处 《陕西科技大学学报(自然科学版)》 2015年第6期94-98,115,共6页 Journal of Shaanxi University of Science & Technology
基金 陕西省科技厅自然科学基础研究计划项目(2014JQ2064) 陕西科技大学博士科研启动基金项目(BJ12-26)
关键词 3-酰胺基喹唑啉酮类化合物 环氧合酶-2 分子对接 抗炎活性 3-acylaminoquinazolin-4(1 H)-ones molecular docking anti-inflammatory activity
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