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Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues

Received: 17 January 2019     Accepted: 25 February 2019     Published: 20 March 2019
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Abstract

This study aims to investigate the interaction between cefonicid sodium (CFS) and papain (PAPA) using fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking methods. The results indicated that the fluorescence intensity of PAPA was decreased considerably upon the addition of CFS through a static quenching mechanism. Synchronous fluorescence spectroscopy studies showed that the combination of CFS and PAPA could change the conformation of PAPA. At the temperature of 293 K, there was a good linear relationship between the fluorescence intensity of the system and the concentration of CFS in the range of 6.0×10-6 to 1.0×10-4 mol/L and the detection limit of the method was 3.05×10-6 mol/L (n=10). From the results of the thermodynamic constant and molecular model analysis, it could be inferred that the CFS and PAPA molecules mainly combine by electrostatic attraction and hydrogen bonding. The binding model was established based on the experimental data, and the binding rate data of CFS and PAPA was obtained. The results showed that taking PAPA while taking CFS was safe.

Published in International Journal of Computational and Theoretical Chemistry (Volume 7, Issue 1)
DOI 10.11648/j.ijctc.20190701.13
Page(s) 14-21
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), 2019. Published by Science Publishing Group

Keywords

Cefonicid Sodium, Papain, Spectroscopy, Molecular Docking, Combination Rate

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Cite This Article
  • APA Style

    Xu Cheng, Baosheng Liu, Hongcai Zhang, Chundan Wang. (2019). Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues. International Journal of Computational and Theoretical Chemistry, 7(1), 14-21. https://doi.org/10.11648/j.ijctc.20190701.13

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    ACS Style

    Xu Cheng; Baosheng Liu; Hongcai Zhang; Chundan Wang. Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues. Int. J. Comput. Theor. Chem. 2019, 7(1), 14-21. doi: 10.11648/j.ijctc.20190701.13

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    AMA Style

    Xu Cheng, Baosheng Liu, Hongcai Zhang, Chundan Wang. Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues. Int J Comput Theor Chem. 2019;7(1):14-21. doi: 10.11648/j.ijctc.20190701.13

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  • @article{10.11648/j.ijctc.20190701.13,
      author = {Xu Cheng and Baosheng Liu and Hongcai Zhang and Chundan Wang},
      title = {Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues},
      journal = {International Journal of Computational and Theoretical Chemistry},
      volume = {7},
      number = {1},
      pages = {14-21},
      doi = {10.11648/j.ijctc.20190701.13},
      url = {https://doi.org/10.11648/j.ijctc.20190701.13},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijctc.20190701.13},
      abstract = {This study aims to investigate the interaction between cefonicid sodium (CFS) and papain (PAPA) using fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking methods. The results indicated that the fluorescence intensity of PAPA was decreased considerably upon the addition of CFS through a static quenching mechanism. Synchronous fluorescence spectroscopy studies showed that the combination of CFS and PAPA could change the conformation of PAPA. At the temperature of 293 K, there was a good linear relationship between the fluorescence intensity of the system and the concentration of CFS in the range of 6.0×10-6 to 1.0×10-4 mol/L and the detection limit of the method was 3.05×10-6 mol/L (n=10). From the results of the thermodynamic constant and molecular model analysis, it could be inferred that the CFS and PAPA molecules mainly combine by electrostatic attraction and hydrogen bonding. The binding model was established based on the experimental data, and the binding rate data of CFS and PAPA was obtained. The results showed that taking PAPA while taking CFS was safe.},
     year = {2019}
    }
    

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  • TY  - JOUR
    T1  - Interactions and Molecular Docking Studies of Cefonicid Sodium with Papain Amino Acid Residues
    AU  - Xu Cheng
    AU  - Baosheng Liu
    AU  - Hongcai Zhang
    AU  - Chundan Wang
    Y1  - 2019/03/20
    PY  - 2019
    N1  - https://doi.org/10.11648/j.ijctc.20190701.13
    DO  - 10.11648/j.ijctc.20190701.13
    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  - 14
    EP  - 21
    PB  - Science Publishing Group
    SN  - 2376-7308
    UR  - https://doi.org/10.11648/j.ijctc.20190701.13
    AB  - This study aims to investigate the interaction between cefonicid sodium (CFS) and papain (PAPA) using fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking methods. The results indicated that the fluorescence intensity of PAPA was decreased considerably upon the addition of CFS through a static quenching mechanism. Synchronous fluorescence spectroscopy studies showed that the combination of CFS and PAPA could change the conformation of PAPA. At the temperature of 293 K, there was a good linear relationship between the fluorescence intensity of the system and the concentration of CFS in the range of 6.0×10-6 to 1.0×10-4 mol/L and the detection limit of the method was 3.05×10-6 mol/L (n=10). From the results of the thermodynamic constant and molecular model analysis, it could be inferred that the CFS and PAPA molecules mainly combine by electrostatic attraction and hydrogen bonding. The binding model was established based on the experimental data, and the binding rate data of CFS and PAPA was obtained. The results showed that taking PAPA while taking CFS was safe.
    VL  - 7
    IS  - 1
    ER  - 

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Author Information
  • College of Chemistry & Environmental Science, Hebei University, Baoding, China

  • College of Chemistry & Environmental Science, Hebei University, Baoding, China

  • College of Chemistry & Environmental Science, Hebei University, Baoding, China

  • College of Chemistry & Environmental Science, Hebei University, Baoding, China

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