International Journal of Pharmacy and Chemistry

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Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping

Received: 27 August 2016    Accepted: 12 October 2016    Published: 28 October 2016
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Abstract

DNA topoisomerases are unique enzymes which play a major role in solving the topological problems associated with DNA molecule. Topoisomerase enzymes are highly expressed in cells which undergo rapid and uncontrolled cell divisions. Inhibition of this enzyme represents a major potential therapeutic approach for cancer. The computational tools that have allowed understanding the biological functions of Topoisomerase-II are being applied to understanding drug action. In this study, we have developed a quantitative pharmacophore model based on topoisomerase inhibitors collected from the literature. Molecular Docking Analysis was performed with AutoDock4 Software. Topoisomerase II (PDB-id 2RGR) was selected for finding its potent inhibitor. A comprehensive molecular modelling was performed to identify the pertinent features that could be used as a starting point for design of ligands with increased affinity and target selectivity. According to the pharmacophore mapping, the resulting pharmacophoric points could be used for the generation of new molecule that include all this point and hence will act as a better inhibitor for Topoisomerase II receptor.

DOI 10.11648/j.ijpc.20160202.14
Published in International Journal of Pharmacy and Chemistry (Volume 2, Issue 2, November 2016)
Page(s) 24-30
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

Topoisomerases, Pharmacophore, Docking, Ligands

References
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Author Information
  • Department of Biotechnology, Sreenidhi Institute of Science and Technology, Hyderabad, India

  • Rajiv Gandhi Institute of IT and Biotechnology, Bharati Vidyapeeth University, Pune, India

  • Department of Biotechnology, Sreenidhi Institute of Science and Technology, Hyderabad, India

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  • APA Style

    Deveeka Zamare, Shraddha Choudhary, Bishwambhar Mishra. (2016). Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping. International Journal of Pharmacy and Chemistry, 2(2), 24-30. https://doi.org/10.11648/j.ijpc.20160202.14

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    ACS Style

    Deveeka Zamare; Shraddha Choudhary; Bishwambhar Mishra. Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping. Int. J. Pharm. Chem. 2016, 2(2), 24-30. doi: 10.11648/j.ijpc.20160202.14

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    AMA Style

    Deveeka Zamare, Shraddha Choudhary, Bishwambhar Mishra. Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping. Int J Pharm Chem. 2016;2(2):24-30. doi: 10.11648/j.ijpc.20160202.14

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  • @article{10.11648/j.ijpc.20160202.14,
      author = {Deveeka Zamare and Shraddha Choudhary and Bishwambhar Mishra},
      title = {Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping},
      journal = {International Journal of Pharmacy and Chemistry},
      volume = {2},
      number = {2},
      pages = {24-30},
      doi = {10.11648/j.ijpc.20160202.14},
      url = {https://doi.org/10.11648/j.ijpc.20160202.14},
      eprint = {https://download.sciencepg.com/pdf/10.11648.j.ijpc.20160202.14},
      abstract = {DNA topoisomerases are unique enzymes which play a major role in solving the topological problems associated with DNA molecule. Topoisomerase enzymes are highly expressed in cells which undergo rapid and uncontrolled cell divisions. Inhibition of this enzyme represents a major potential therapeutic approach for cancer. The computational tools that have allowed understanding the biological functions of Topoisomerase-II are being applied to understanding drug action. In this study, we have developed a quantitative pharmacophore model based on topoisomerase inhibitors collected from the literature. Molecular Docking Analysis was performed with AutoDock4 Software. Topoisomerase II (PDB-id 2RGR) was selected for finding its potent inhibitor. A comprehensive molecular modelling was performed to identify the pertinent features that could be used as a starting point for design of ligands with increased affinity and target selectivity. According to the pharmacophore mapping, the resulting pharmacophoric points could be used for the generation of new molecule that include all this point and hence will act as a better inhibitor for Topoisomerase II receptor.},
     year = {2016}
    }
    

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  • TY  - JOUR
    T1  - Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping
    AU  - Deveeka Zamare
    AU  - Shraddha Choudhary
    AU  - Bishwambhar Mishra
    Y1  - 2016/10/28
    PY  - 2016
    N1  - https://doi.org/10.11648/j.ijpc.20160202.14
    DO  - 10.11648/j.ijpc.20160202.14
    T2  - International Journal of Pharmacy and Chemistry
    JF  - International Journal of Pharmacy and Chemistry
    JO  - International Journal of Pharmacy and Chemistry
    SP  - 24
    EP  - 30
    PB  - Science Publishing Group
    SN  - 2575-5749
    UR  - https://doi.org/10.11648/j.ijpc.20160202.14
    AB  - DNA topoisomerases are unique enzymes which play a major role in solving the topological problems associated with DNA molecule. Topoisomerase enzymes are highly expressed in cells which undergo rapid and uncontrolled cell divisions. Inhibition of this enzyme represents a major potential therapeutic approach for cancer. The computational tools that have allowed understanding the biological functions of Topoisomerase-II are being applied to understanding drug action. In this study, we have developed a quantitative pharmacophore model based on topoisomerase inhibitors collected from the literature. Molecular Docking Analysis was performed with AutoDock4 Software. Topoisomerase II (PDB-id 2RGR) was selected for finding its potent inhibitor. A comprehensive molecular modelling was performed to identify the pertinent features that could be used as a starting point for design of ligands with increased affinity and target selectivity. According to the pharmacophore mapping, the resulting pharmacophoric points could be used for the generation of new molecule that include all this point and hence will act as a better inhibitor for Topoisomerase II receptor.
    VL  - 2
    IS  - 2
    ER  - 

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