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
收藏
页码：183 / 198
页数：16
相关论文
共 50 条
  • [1] Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents
    Walaa S. El-Serwy
    Weam S. El-Serwy
    Neama A. Mohamed
    Emad M. M. Kassem
    Rasha E. Mostafa
    Hanaa S. Mohamed
    Russian Journal of Bioorganic Chemistry, 2021, 47 : 183 - 198
  • [2] Synthesis, biological evaluation and molecular docking studies of novel diosgenin derivatives as anti-inflammatory agents
    Zhang, Sheng-Nan
    Mu, Xiao-Dong
    Zhang, Xiao-Fan
    Luan, Ming-Zhu
    Ma, Guang-Qun
    Li, Wei
    Meng, Qing-Guo
    Chai, Xiao-Yun
    Hou, Gui-Ge
    BIOORGANIC CHEMISTRY, 2022, 127
  • [3] Synthesis, biological evaluation, and molecular docking of dihydroflavonol derivatives as anti-inflammatory agents
    Yuanhang Xiang
    Chunling Hu
    Yuejie Zhang
    Xiaochuan Ye
    Medicinal Chemistry Research, 2019, 28 : 863 - 872
  • [4] Synthesis, biological evaluation, and molecular docking of dihydroflavonol derivatives as anti-inflammatory agents
    Xiang, Yuanhang
    Hu, Chunling
    Zhang, Yuejie
    Ye, Xiaochuan
    MEDICINAL CHEMISTRY RESEARCH, 2019, 28 (06) : 863 - 872
  • [5] Synthesis, Molecular Docking, and Biological Evaluation of Some Novel Hydrazones and Pyrazole Derivatives as Anti-inflammatory Agents
    Mohammed, Khaled O.
    Nissan, Yassin M.
    CHEMICAL BIOLOGY & DRUG DESIGN, 2014, 84 (04) : 473 - 488
  • [6] SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDIES OF AROMATIC SULFONAMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS
    Abbas, Hebat-Allah S.
    El-Karim, Somaia S. Abd
    Ahmed, Entesar M.
    Eweas, Ahmad F.
    El-Awdan, Sally A.
    ACTA POLONIAE PHARMACEUTICA, 2016, 73 (05): : 1163 - 1180
  • [7] Synthesis, biological evaluation, and molecular docking studies of novel 1,2,3-triazole derivatives as potent anti-inflammatory agents
    Kumar, A. Kishore
    Sunitha, V.
    Shankar, B.
    Ramesh, M.
    Krishna, T. Murali
    Jalapathi, P.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2016, 86 (05) : 1154 - 1162
  • [8] Synthesis, biological evaluation, and molecular docking studies of novel 1,2,3-triazole derivatives as potent anti-inflammatory agents
    A. Kishore Kumar
    V. Sunitha
    B. Shankar
    M. Ramesh
    T. Murali Krishna
    P. Jalapathi
    Russian Journal of General Chemistry, 2016, 86 : 1154 - 1162
  • [9] Design, synthesis, biological evaluation, and molecular docking of chalcone derivatives as anti-inflammatory agents
    Li, Jingfen
    Li, Dong
    Xu, Yiming
    Guo, Zhenbo
    Liu, Xu
    Yang, Hua
    Wu, Lichuan
    Wang, Lisheng
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, 27 (03) : 602 - 606
  • [10] Synthesis, biological evaluation and molecular docking of spirofurochromanone derivatives as anti-inflammatory and antioxidant agents
    Ashok, D.
    Madhuri, E. V. L.
    Sarasija, M.
    Kanth, S. Sree
    Vijjulatha, M.
    Alaparthi, Malini D.
    Sagurthi, R.
    RSC ADVANCES, 2017, 7 (41) : 25710 - 25724
12345