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In Silico Drug Designing of Protease Inhibitors to Find the Potential Drug Candidate for HIV1

Received: 15 June 2013     Published: 20 July 2013
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Abstract

Acquired immunodeficiency syndrome (AIDS)was first reported by the us centre of disease (CDC),a few years later it was found that’s a retrovirus called human immune deficiency virus (HIV) and this causative agent in AIDS, the study of HIV protease is one of the most important approaches for the therapeutic intervention in HIV infection and their development is regarded as major success of design, HIV attacks on the CD4+ (T helper cells in human ) lymphocyte and these are key component of the body’s immune system. The present anti retroviral HIV drugs targets based on three protein reverse transcriptase, protease, integrase in this project work on protease enzyme for block the protein malfunction who is responsible for this activity with the help of computer aided drug designing and the best dynamical and statical parameters like homology modeling ,model verification , binding site identification, docking , according there procedure active and effective site of the protease is determined and dock with suitable ligand with receptor and calculate the statical values , NVP is the most suitable ligand and can be use as a inhibit the activity of protease enzyme NVP molecule with a drug likeness property can be considered for in vitro and finally it can acts as a potential lead inhibitor for HIV1.

Published in Computational Biology and Bioinformatics (Volume 1, Issue 3)
DOI 10.11648/j.cbb.20130103.11
Page(s) 10-14
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), 2013. Published by Science Publishing Group

Keywords

Protease, T-Helper Cells, CO-Receptor, Reverse Transcriptase, Integrase, AIDS, HIV1

References
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[14] Wishart DS. Knox C. Guo AC. Shrivastava S. Hassanali M. Stothard P, Chang Z. Woolsey J, "DrugBank: a comprehensive resource for in silico drug discovery and exploration" Nucleic Acids Res, Jan 1; 34:D668-72, 2006.
[15] Altschul, S Gish, W Miller, W Myers, E Lipman, D (1990). "Basic local alignment search tool". Journal of Molecular Biology 215 (3): 403–410, 1990.
[16] Brady G, Stouten P,(2000) Fast prediction and visualization of protein binding pockets with PASS. J Comput Aided MolDes 14:383-401, 2000.
[17] Laurie A, Jackson R: Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites. Bioinformatics 2005, 21:1908-1916, 2005.
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  • APA Style

    Alka Dwivedi, Vijay Laxmi Saxena. (2013). In Silico Drug Designing of Protease Inhibitors to Find the Potential Drug Candidate for HIV1. Computational Biology and Bioinformatics, 1(3), 10-14. https://doi.org/10.11648/j.cbb.20130103.11

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    ACS Style

    Alka Dwivedi; Vijay Laxmi Saxena. In Silico Drug Designing of Protease Inhibitors to Find the Potential Drug Candidate for HIV1. Comput. Biol. Bioinform. 2013, 1(3), 10-14. doi: 10.11648/j.cbb.20130103.11

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    AMA Style

    Alka Dwivedi, Vijay Laxmi Saxena. In Silico Drug Designing of Protease Inhibitors to Find the Potential Drug Candidate for HIV1. Comput Biol Bioinform. 2013;1(3):10-14. doi: 10.11648/j.cbb.20130103.11

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  • @article{10.11648/j.cbb.20130103.11,
      author = {Alka Dwivedi and Vijay Laxmi Saxena},
      title = {In Silico Drug Designing of Protease Inhibitors to Find the Potential Drug Candidate for HIV1},
      journal = {Computational Biology and Bioinformatics},
      volume = {1},
      number = {3},
      pages = {10-14},
      doi = {10.11648/j.cbb.20130103.11},
      url = {https://doi.org/10.11648/j.cbb.20130103.11},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cbb.20130103.11},
      abstract = {Acquired immunodeficiency syndrome (AIDS)was first reported by the us centre of disease (CDC),a few years later it was found that’s a retrovirus called human immune deficiency virus (HIV) and this causative agent in AIDS, the study of HIV protease is one of the most important approaches for the therapeutic intervention in HIV infection and their development is regarded as  major success of design, HIV attacks on the CD4+ (T helper cells in human ) lymphocyte and these are key component of the body’s immune system. The present anti retroviral HIV drugs targets based on three protein reverse transcriptase, protease, integrase in this project work on protease enzyme for block the protein malfunction who is responsible for this activity with the help of computer aided drug designing and the best dynamical and statical parameters like homology modeling ,model verification , binding site identification, docking , according there procedure active  and effective site of the protease is determined and dock with suitable ligand with receptor and calculate the statical values , NVP is the most suitable ligand  and can be use as a inhibit the activity of protease enzyme NVP molecule with a drug likeness property can be considered for in vitro and finally it can acts as a potential lead inhibitor for HIV1.},
     year = {2013}
    }
    

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    AU  - Alka Dwivedi
    AU  - Vijay Laxmi Saxena
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    N1  - https://doi.org/10.11648/j.cbb.20130103.11
    DO  - 10.11648/j.cbb.20130103.11
    T2  - Computational Biology and Bioinformatics
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    UR  - https://doi.org/10.11648/j.cbb.20130103.11
    AB  - Acquired immunodeficiency syndrome (AIDS)was first reported by the us centre of disease (CDC),a few years later it was found that’s a retrovirus called human immune deficiency virus (HIV) and this causative agent in AIDS, the study of HIV protease is one of the most important approaches for the therapeutic intervention in HIV infection and their development is regarded as  major success of design, HIV attacks on the CD4+ (T helper cells in human ) lymphocyte and these are key component of the body’s immune system. The present anti retroviral HIV drugs targets based on three protein reverse transcriptase, protease, integrase in this project work on protease enzyme for block the protein malfunction who is responsible for this activity with the help of computer aided drug designing and the best dynamical and statical parameters like homology modeling ,model verification , binding site identification, docking , according there procedure active  and effective site of the protease is determined and dock with suitable ligand with receptor and calculate the statical values , NVP is the most suitable ligand  and can be use as a inhibit the activity of protease enzyme NVP molecule with a drug likeness property can be considered for in vitro and finally it can acts as a potential lead inhibitor for HIV1.
    VL  - 1
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Author Information
  • National Bioinformatics Infrastructure Facility Center of (DBT), Ministry of Science and Technology (Govt. of India), D.G (PG) College civil lines Kanpur, INDIA

  • Department of Zoology (HOD), (Coordinator) National Bioinformatics Infrastructure Facility Center of (DBT), Ministry of Science and Technology (Govt. of India), D.G (PG) College civil lines Kanpur, INDIA

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