International Journal of Computational and Theoretical Chemistry

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A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme

Received: 24 February 2017    Accepted: 20 March 2017    Published: 13 April 2017
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Abstract

Clove (Syzygium aromaticum) is precious spice used over the world in cuisine and medical treatment. Essential clove oil contains many bioactive molecules which have therapeutic interest. In this work we study interactions of DPP-4 enzyme (responsible of diabetes type 2) with main molecules contained in clove essential oil using molecular mechanic, molecular dynamics and molecular docking (method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex). Molecular Operating Environment software was used. The obtained results show that Acetyleugenol molecule is the best inhibitor of DPP-4 enzyme according to score energy. As a conclusion we can say that clove has a significant influence on diabetes treatment.

DOI 10.11648/j.ijctc.20170501.12
Published in International Journal of Computational and Theoretical Chemistry (Volume 5, Issue 1, January 2017)
Page(s) 9-13
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

Diabetes Type 2 (T2DM), Clove, DPP-4, MOE (Molecular Operating Environment)

References
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Author Information
  • Faculty of Technology, Doctor Tahar Moulay University, Saida, Algeria; Laboratory of Naturals Products and Bioactives, Tlemcen, Algeria

  • Laboratory of Naturals Products and Bioactives, Tlemcen, Algeria; Department of Chemistry, Faculty of Sciences, Aboubekr Belkaid University, Tlemcen, Algeria

  • Laboratory of Naturals Products and Bioactives, Tlemcen, Algeria; Department of Chemistry, Faculty of Sciences, Aboubekr Belkaid University, Tlemcen, Algeria

  • Laboratory of Naturals Products and Bioactives, Tlemcen, Algeria; Department of Chemistry, Faculty of Sciences, Aboubekr Belkaid University, Tlemcen, Algeria

  • Department of Mathematics, Faculty of Sciences, Djillali Liabes University, Sidi Bel Abbes, Algeria

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    Bouchentouf Salim, Ghalem Said, Missoum Noureddine, Allali Hocine, Bouchentouf Amina Angelika. (2017). A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme. International Journal of Computational and Theoretical Chemistry, 5(1), 9-13. https://doi.org/10.11648/j.ijctc.20170501.12

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    ACS Style

    Bouchentouf Salim; Ghalem Said; Missoum Noureddine; Allali Hocine; Bouchentouf Amina Angelika. A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme. Int. J. Comput. Theor. Chem. 2017, 5(1), 9-13. doi: 10.11648/j.ijctc.20170501.12

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    AMA Style

    Bouchentouf Salim, Ghalem Said, Missoum Noureddine, Allali Hocine, Bouchentouf Amina Angelika. A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme. Int J Comput Theor Chem. 2017;5(1):9-13. doi: 10.11648/j.ijctc.20170501.12

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  • @article{10.11648/j.ijctc.20170501.12,
      author = {Bouchentouf Salim and Ghalem Said and Missoum Noureddine and Allali Hocine and Bouchentouf Amina Angelika},
      title = {A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme},
      journal = {International Journal of Computational and Theoretical Chemistry},
      volume = {5},
      number = {1},
      pages = {9-13},
      doi = {10.11648/j.ijctc.20170501.12},
      url = {https://doi.org/10.11648/j.ijctc.20170501.12},
      eprint = {https://download.sciencepg.com/pdf/10.11648.j.ijctc.20170501.12},
      abstract = {Clove (Syzygium aromaticum) is precious spice used over the world in cuisine and medical treatment. Essential clove oil contains many bioactive molecules which have therapeutic interest. In this work we study interactions of DPP-4 enzyme (responsible of diabetes type 2) with main molecules contained in clove essential oil using molecular mechanic, molecular dynamics and molecular docking (method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex). Molecular Operating Environment software was used. The obtained results show that Acetyleugenol molecule is the best inhibitor of DPP-4 enzyme according to score energy. As a conclusion we can say that clove has a significant influence on diabetes treatment.},
     year = {2017}
    }
    

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    T1  - A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme
    AU  - Bouchentouf Salim
    AU  - Ghalem Said
    AU  - Missoum Noureddine
    AU  - Allali Hocine
    AU  - Bouchentouf Amina Angelika
    Y1  - 2017/04/13
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    DO  - 10.11648/j.ijctc.20170501.12
    T2  - International Journal of Computational and Theoretical Chemistry
    JF  - International Journal of Computational and Theoretical Chemistry
    JO  - International Journal of Computational and Theoretical Chemistry
    SP  - 9
    EP  - 13
    PB  - Science Publishing Group
    SN  - 2376-7308
    UR  - https://doi.org/10.11648/j.ijctc.20170501.12
    AB  - Clove (Syzygium aromaticum) is precious spice used over the world in cuisine and medical treatment. Essential clove oil contains many bioactive molecules which have therapeutic interest. In this work we study interactions of DPP-4 enzyme (responsible of diabetes type 2) with main molecules contained in clove essential oil using molecular mechanic, molecular dynamics and molecular docking (method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex). Molecular Operating Environment software was used. The obtained results show that Acetyleugenol molecule is the best inhibitor of DPP-4 enzyme according to score energy. As a conclusion we can say that clove has a significant influence on diabetes treatment.
    VL  - 5
    IS  - 1
    ER  - 

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