Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents

被引：3

作者：

El-Serwy, Walaa S. ^{[1
]}

El-Serwy, Weam S. ^{[2
]}

Mohamed, Neama A. ^{[1
]}

Kassem, Emad M. M. ^{[1
]}

Mostafa, Rasha E. ^{[3
]}

Mohamed, Hanaa S. ^{[1
]}

机构：

[1] Natl Res Ctr, Dept Therapeut Chem, Pharmaceut & Drug Ind Res Div, Giza 12622, Egypt

[2] Natl Res Ctr, Chem Nat & Microbial Prod Dept, Pharmaceut & Drug Ind Res Div, Giza 12622, Egypt

[3] Natl Res Ctr, Dept Pharmacol, Med Res Div, Giza 12622, Egypt

来源：

RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY | 2021年 / 47卷 / 01期

关键词：

1; 2-diazet; pyrrole; anti-inflammatory activity; molecular docking study;

D O I：

10.1134/S1068162021010040

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：

Here we synthesized novel 1, 2-diazet and pyrrole derivatives and screened for their anti-inflammatory activity. In vivo anti-inflammatory evaluation results revealed that compounds (XVI), (XIV) and (XI) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (VII), (V) and (XV) exhibited the lowest potencies when compared to indomethacin group. Molecular docking study was used to predict the binding mode towards c-Jun N-Terminal Kinase. In addition, ADME (absorption, distribution, metabolism, and excretion) prediction and QSAR (quantitative structure-activity relationship) study of compounds was carried out respectively.

引用

页码：183 / 198

页数：16

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