Molecular docking design and one-pot expeditious synthesis of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines as anti-inflammatory agents

被引：28

作者：

Aggarwal, Ranjana ^{[1
]}

Singh, Gulshan ^{[1
]}

Kaushik, Pawan ^{[2
]}

Kaushik, Dhirender ^{[2
]}

Paliwal, Deepika ^{[2
]}

Kumar, Ajay ^{[2
]}

机构：

[1] Kurukshetra Univ, Dept Chem, Kurukshetra 136119, Haryana, India

[2] Kurukshetra Univ, Dept Pharmaceut Sci, Kurukshetra 136119, Haryana, India

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2015年 / 101卷

关键词：

2,5-Diarylpyrazolo[1,5-a]pyrimidin-7-amines; Hydrazine hydrate; 3-Aryl-3-oxopropanonitriles; p-Toluenesulphonic acid; Anti-inflammatory agents; Molecular docking; DERIVATIVES; INHIBITORS;

D O I：

10.1016/j.ejmech.2015.06.011

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A series of novel 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines were designed as COX-2 inhibitors by molecular docking studies and their synthesis was accomplished via an expeditious one-pot reaction. Structures of the compounds were established by NMR (H-1-C-13), IR spectroscopy and high resolution mass spectrometry. All the eleven compounds have been screened for their in vivo anti-inflammatory activity on rats by carrageenan-induced rat paw edema assay. Correlation studies of calculated mol-dock score and observed percentage inhibition have also been carried out which concluded that the synthesized 2,5-diarylpyrazolo[1,5-a]pyrimidin-7-amines act as potent anti-inflammatory agents up to the 4th hour of study. (C) 2015 Published by Elsevier Masson SAS.

引用

页码：326 / 333

页数：8

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