Synthesis, molecular docking and anti-inflammatory screening of novel quinoline incorporated pyrazole derivatives using the Pfitzinger reaction II

被引：114
作者：
El-Feky, Said A. H. [1 ,2 ]
Abd El-Samii, Zakaria K. [2 ]
Osman, Nermine A. [2 ]
Lashine, Jasmine [2 ]
Kamel, Mohamed A. [3 ]
Thabet, Hamdy Kh. [4 ,5 ]
机构：
[1] Northern Border Univ, Fac Pharm, Dept Pharmaceut Chem, Rafha 91911, Saudi Arabia
[2] Zagazig Univ, Fac Pharm, Dept Organ Pharmaceut Chem, Zagazig, Egypt
[3] Zagazig Univ, Fac Vet Med, Dept Pharmacol, Zagazig, Egypt
[4] Northern Border Univ, Fac Arts & Sci, Dept Chem, Rafha 91911, Saudi Arabia
[5] Al Azhar Univ, Fac Sci, Dept Chem, Cairo 11284, Egypt
来源：
BIOORGANIC CHEMISTRY | 2015年 / 58卷
关键词：
Quinoline derivatives; Pyrazoles; Anti-inflammatory; Ulcerogenic activity; BIOLOGICAL EVALUATION; MONOAMINE-OXIDASE; INHIBITION; DESIGN; AGENTS; RAT;
D O I：
10.1016/j.bioorg.2014.12.003
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
In continuation of our study of novel quinolines with anti-inflammatory activity using the Pfitzinger reaction, several new quinoline derivatives were synthesized and tested for their anti-inflammatory and ulcerogenic effect. A docking study on the COX-2 binding pocket was carried out for the target compounds to rationalize the possible selectivity of them against COX-2 enzyme. The most active compounds (5a, 8a and 11a) were found to be superior to celecoxib. Compound 11a demonstrated the highest anti-inflammatory activity as well as the best binding profiles into the COX-2 binding site. Moreover, compounds 9c, 9e, 10a and 11a were devoid of ulcerogenic activity. (C) 2014 Elsevier Inc. All rights reserved.
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收藏
页码：104 / 116
页数：13
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