| Peer-Reviewed

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
Views:       Downloads:
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.

Published in International Journal of Computational and Theoretical Chemistry (Volume 5, Issue 1)
DOI 10.11648/j.ijctc.20170501.12
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), 2017. Published by Science Publishing Group

Keywords

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

References
[1] H. J. Sohilait, “Chemical Composition of the Essential Oils in Eugenia caryophylata, Thunb from Amboina Island,” Science Journal of Chemistry, 2015, 95-99. DOI: 10.11648/j.sjc.20150306.13
[2] G. P. Kamatou, I. Vermaak, A. M. Viljoen, “Eugenol-from the remote Maluku Islands to the international market place: a review of a remarkable and versatile molecule”. Molecules, 2012, 6953-6981. DOI: 10.3390/molecules17066953.
[3] R. K. Pundir, P. R. Jain, C. H. Sharma, Antimicrobial activity of ethanolic extracts of Syzigium aromaticum and Allium sativum Against food associated bacteria and fungi, Ethnobotanical Leaflets, 14, 2010, 344-360.
[4] K. N. Humini, R. Hamdane, R. Boutoutaou, M. Kihal, J. E. Henni, “Antifungal activity of clove (Syzigium aromaticum L) essential oil against phytopathogenic fungi of tomato (Solanum lycopersicum L.) in Algeria,” J. Exp. Bio. and Agric. Sci, 2014, 2 (5): 447-454.
[5] M. J. Park, K. S. Gwak, I. Yang, W. S. Choi, H. J. Jo, J. W. Chang, E. B. Jeung, I. G. Choi, “Antifungal activities of the essential oils in Syzigium aromaticum (L.) Merr. Et Perry and Leptospermum patersoii Bailey and their constituents against various dermatophytes,” J. Microbio, 2007, 45 (5): 460-465.
[6] L. Yazdanpanah, N. Mohamadi, “Antifungal activity of the clove essential oil Syzigium aromaticum on Paecilomyces variotii agent of pistachio dieback,” J. Bio. & Env. Sci, 2014, 42-45.
[7] M. M. Abozid, S. M. El-Sayed, “Antioxidant and protective effect of clove extracts and clove essential oil on hydrogen peroxide treated rats,” Int. J. chem. Tech. Res, 2013, 1477-1485.
[8] L. Jirovetz, G. Buchbauer, I. Stoilova, A. Stoyanova, E. Schmidt, “Chemical composition and antioxidant properties of clove leaf essential oil,” J. Agric. Food chem, 2006, 54, 6303-6307. DOI: 10.1021/jf060608c.
[9] M. I. Nassar, A. H. Gaara, A. H. El-Ghorab, A. R. H. Farrag, H. Shen, E. Huq, T. J. Mabry, “ Chemical constituents of clove (Syzigium aromaticum), Fam. Myrtaceae and their antioxidant activity,” Rev. Latinoamer. Quim, 2007, 47-57.
[10] K. Chaieb, H. Hajlaoui, T. Zmantar, A. B. Kahla-Nakbi, M. Rouambhia, Mahdouani K, Bakhroul A, “The chemical composition and biological Activity of clove essential oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): A short review,” Phytother. Res, 2007, 501-506. DOI: 10.1002/ptr.2124.
[11] D. F. Cortes-Rojas, C. R. Ferandes de Souza, W. Pereira Olivera, “Clove (Syzigium aromaticum): A Precious spice,” Asian Pac. J. Trop. Biomed, 2014, 90-96.
[12] G. P. Kamatou, I. Vermaak, A. M. Viljoen, “Eugenol- From the remote Maluku Islands to the international market place: A review of a remarkable and versatile molecule,” Molecules, 2012, 6953-6981.
[13] M. Saeed, M. Nadeem, M. R. Khan, M. A. Shabbir, A. Shehzad, A. M. Amir, “Antimicrobial activity of Syzigium aromaticum extracts against food spoilage bacteria,” Glob. J. Med. Microbiol. Rev, 2013, 27-35.
[14] H. K. Alma, M. Ertas, S. Nitz, H. Kollmannsberger, “Chemical composition and content of essential oil from the bud of cultivated Turkish clove (Syzigium aromaticum L.),” BioResources, 2007, 265-269.
[15] A. Ozturk, H. Ozbek, “The Anti-inflammatory activity of Eugenia caryophyllata essential oil: An animal model of anti-inflammatory activity,” Eur. J. Gen. Med, 2005, 159-163.
[16] A. Slama-Chaudhry, M. Mavromati, A. Golay, Diabète de type II. – HUG – (Hôpitaux universitaires de Genève) Service de médecine de premier recours – DMCPRU, 2013, 29.
[17] A. Grimaldi, J. Cosserat, C. Breton, P. Cathébras, Les pathologies dites fonctionnelles, Elsevier, 2004, 162.
[18] A. Grimaldi, La santé écartelée - Entre santé publique et business, Dialogues, 2013, 220.
[19] M. R. Nangle, T. M. Gibson, M. A. Cotter, N. E. Cameron, “Effects of eugenol on nerve and vascular dysfunction in streptozotocin-diabetic rats,” Planta Medica, 2006, 494–500. DOI: 10.1055/s-2005-916262.
[20] S. Rajamani, R. Suganthi, M. K. Ravichandran, C. V. Anuradha, “Food seasoning spices mixture improves glucose metabolism and lipid profile in fructose-fed hyperinsulinemic rats,” Journal Medicinal Food, 2005, 502–507. DOI: 10.1089/jmf.2005.8.502.
[21] R. Suganthi, S. Rajamani, M. K. Ravichandran, C. V. Anuradha, “Effect of food seasoning spices mixture on biomarkers of oxidative stress in tissues of fructose-fed insulin-resistant rats,” Journal Medicinal Food, 2007, 149–153. DOI: 10.1089/jmf.2005.058.
[22] R. P. Dearlove, P. Greenspan, D. K. Hartle, R. B. Swanson, J. L. Hargrove, “Inhibition of protein glycation by extracts of culinary herbs and spices,” Journal Medicinal Food, 2008, 275–281. DOI: 10.1089/jmf.2007.536.
[23] C. L. Broadhurst, M. M. Polansky, R. A. Anderson, “Insulin-like biological activity of culinary and medicinal plant aqueous extracts in-vitro,” Journal Agriculture Food Chemistry, 2000, 849–852.
[24] R. Shukri, S. Mohamed, N. M. Mustapha, “Cloves protect the heart, liver and lens of diabetic rats,” Food Chemistry, 2010, 1116–1121. Doi: dx.doi.org/10.1016/j.foodchem.2010.03.094.
[25] D. Röhrborn, N. Wronkowitz, J. Eckel, DPP4 in diabetes, Front. Immunol, 2015, Doi: dx.doi.org/10.3389/fimmu.2015.00386.
[26] M. S. De Oliveira, W. A. Da Costa, D. S. Pereira, J. R. S. B. Botelho, T. O. De Alencar Mnezes, E. H. De Aguiar Andrade, M. S. H. Da Silva, A. P. Da Silva Sousa Filho, R. N. De Carvalho Junior, “Chemical Composition and Phytotoxic Activity of Clove (Syzygium aromaticum) Essential Oil Obtained with Supercritical CO2,” J. of Supercritical Fluids, 2016, 185-193. Doi: dx.doi.org/doi: 10.1016/j.supflu.2016.08.010.
[27] Molecular Operating Environment (MOE), Chemical Computing Group, Montreal, Quebec, 2013 Canada.
[28] P. Labute, C. Williams, M. Feher, E. Sourial, J. M. Schmidt, Flexible alignment of small molecules, J. Med. Chem, 2001, 1483-1490. Doi: 10.1021/jm0002634.
Cite This Article
  • APA Style

    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

    Copy | Download

    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

    Copy | Download

    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

    Copy | Download

  • @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://article.sciencepublishinggroup.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}
    }
    

    Copy | Download

  • TY  - JOUR
    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
    PY  - 2017
    N1  - https://doi.org/10.11648/j.ijctc.20170501.12
    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  - 

    Copy | Download

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

  • Laboratory of Naturals Products and Bioactives, Tlemcen, Algeria

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

  • Sections