Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide

Muthuraman Namasivayam; Suresh Ramraj Subashchandrabose

doi:doi:10.11648/j.cbb.20150304.11

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Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide

Muthuraman Namasivayam, Suresh Ramraj Subashchandrabose

Published in Computational Biology and Bioinformatics (Volume 3, Issue 4)

Received: 8 July 2015 Accepted: 18 July 2015 Published: 28 July 2015

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Abstract

Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the lungs and other parts of the body. Vaccination against tuberculosis is available but proved to be unsuccessful against emerging multi drug and extensive drug resistant bacterial strains. This in turn raises the pressure to speed up the research on developing new and more efficient anti-tuberculosis drugs. Lipoate biosynthesis protein B (LipB) is found to play vital role in the lipoylation process in Mycobacterium tuberculosis and thus making it a very promising drug target. The existing first line drugs such as Isoniazid, Pyrazinamide and Rifampicin etc shows only profound binding affinity with this target protein. Therefore, new or modified drugs with better docking approach that exhibit a closer and stronger binding affinity is essential. This current study opens up a novel approach towards anti-tuberculosis agents by determining drugs that share similar structures with some of the best available first line drug and also happen to possess better binding affinity. In this article, a computational method by which, pristine as well certain first line and structurally modified drugs were docked with the LipB protein target; where, structurally modified 2, 6 Dimethoxyisonicotinohydrazide show superior target docking.

Published in	Computational Biology and Bioinformatics (Volume 3, Issue 4)
DOI	10.11648/j.cbb.20150304.11
Page(s)	45-51
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

Mycobacterium Tuberculosis, Multi-drug Resistant Tuberculosis, Anti-tuberculosis Drugs, LipB, Isoniazid, Lipoylation, Molecular Docking, Drug Design, 2,6 Dimethoxyisonicotinohydrazide

References

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APA Style

Muthuraman Namasivayam, Suresh Ramraj Subashchandrabose. (2015). Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Computational Biology and Bioinformatics, 3(4), 45-51. https://doi.org/10.11648/j.cbb.20150304.11

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ACS Style

Muthuraman Namasivayam; Suresh Ramraj Subashchandrabose. Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Comput. Biol. Bioinform. 2015, 3(4), 45-51. doi: 10.11648/j.cbb.20150304.11

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AMA Style

Muthuraman Namasivayam, Suresh Ramraj Subashchandrabose. Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Comput Biol Bioinform. 2015;3(4):45-51. doi: 10.11648/j.cbb.20150304.11

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@article{10.11648/j.cbb.20150304.11,
  author = {Muthuraman Namasivayam and Suresh Ramraj Subashchandrabose},
  title = {Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide},
  journal = {Computational Biology and Bioinformatics},
  volume = {3},
  number = {4},
  pages = {45-51},
  doi = {10.11648/j.cbb.20150304.11},
  url = {https://doi.org/10.11648/j.cbb.20150304.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cbb.20150304.11},
  abstract = {Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the lungs and other parts of the body. Vaccination against tuberculosis is available but proved to be unsuccessful against emerging multi drug and extensive drug resistant bacterial strains. This in turn raises the pressure to speed up the research on developing new and more efficient anti-tuberculosis drugs. Lipoate biosynthesis protein B (LipB) is found to play vital role in the lipoylation process in Mycobacterium tuberculosis and thus making it a very promising drug target. The existing first line drugs such as Isoniazid, Pyrazinamide and Rifampicin etc shows only profound binding affinity with this target protein. Therefore, new or modified drugs with better docking approach that exhibit a closer and stronger binding affinity is essential. This current study opens up a novel approach towards anti-tuberculosis agents by determining drugs that share similar structures with some of the best available first line drug and also happen to possess better binding affinity. In this article, a computational method by which, pristine as well certain first line and structurally modified drugs were docked with the LipB protein target; where, structurally modified 2, 6 Dimethoxyisonicotinohydrazide show superior target docking.},
 year = {2015}
}

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TY  - JOUR
T1  - Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide
AU  - Muthuraman Namasivayam
AU  - Suresh Ramraj Subashchandrabose
Y1  - 2015/07/28
PY  - 2015
N1  - https://doi.org/10.11648/j.cbb.20150304.11
DO  - 10.11648/j.cbb.20150304.11
T2  - Computational Biology and Bioinformatics
JF  - Computational Biology and Bioinformatics
JO  - Computational Biology and Bioinformatics
SP  - 45
EP  - 51
PB  - Science Publishing Group
SN  - 2330-8281
UR  - https://doi.org/10.11648/j.cbb.20150304.11
AB  - Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the lungs and other parts of the body. Vaccination against tuberculosis is available but proved to be unsuccessful against emerging multi drug and extensive drug resistant bacterial strains. This in turn raises the pressure to speed up the research on developing new and more efficient anti-tuberculosis drugs. Lipoate biosynthesis protein B (LipB) is found to play vital role in the lipoylation process in Mycobacterium tuberculosis and thus making it a very promising drug target. The existing first line drugs such as Isoniazid, Pyrazinamide and Rifampicin etc shows only profound binding affinity with this target protein. Therefore, new or modified drugs with better docking approach that exhibit a closer and stronger binding affinity is essential. This current study opens up a novel approach towards anti-tuberculosis agents by determining drugs that share similar structures with some of the best available first line drug and also happen to possess better binding affinity. In this article, a computational method by which, pristine as well certain first line and structurally modified drugs were docked with the LipB protein target; where, structurally modified 2, 6 Dimethoxyisonicotinohydrazide show superior target docking.
VL  - 3
IS  - 4
ER  -

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Author Information

Muthuraman Namasivayam

Center of Advance Study in Crystallography and Biophysics, University of Madras, Chennai, India
Suresh Ramraj Subashchandrabose

Global Centre for Environmental Risk Assessment and Remediation Faculty of Science and Information Technology, The University of New Castle, Newcastle, Australia

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Muthuraman Namasivayam, Suresh Ramraj Subashchandrabose. (2015). Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Computational Biology and Bioinformatics, 3(4), 45-51. https://doi.org/10.11648/j.cbb.20150304.11

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ACS Style

Muthuraman Namasivayam; Suresh Ramraj Subashchandrabose. Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Comput. Biol. Bioinform. 2015, 3(4), 45-51. doi: 10.11648/j.cbb.20150304.11

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AMA Style

Muthuraman Namasivayam, Suresh Ramraj Subashchandrabose. Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide. Comput Biol Bioinform. 2015;3(4):45-51. doi: 10.11648/j.cbb.20150304.11

Copy | Download

@article{10.11648/j.cbb.20150304.11,
  author = {Muthuraman Namasivayam and Suresh Ramraj Subashchandrabose},
  title = {Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide},
  journal = {Computational Biology and Bioinformatics},
  volume = {3},
  number = {4},
  pages = {45-51},
  doi = {10.11648/j.cbb.20150304.11},
  url = {https://doi.org/10.11648/j.cbb.20150304.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.cbb.20150304.11},
  abstract = {Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the lungs and other parts of the body. Vaccination against tuberculosis is available but proved to be unsuccessful against emerging multi drug and extensive drug resistant bacterial strains. This in turn raises the pressure to speed up the research on developing new and more efficient anti-tuberculosis drugs. Lipoate biosynthesis protein B (LipB) is found to play vital role in the lipoylation process in Mycobacterium tuberculosis and thus making it a very promising drug target. The existing first line drugs such as Isoniazid, Pyrazinamide and Rifampicin etc shows only profound binding affinity with this target protein. Therefore, new or modified drugs with better docking approach that exhibit a closer and stronger binding affinity is essential. This current study opens up a novel approach towards anti-tuberculosis agents by determining drugs that share similar structures with some of the best available first line drug and also happen to possess better binding affinity. In this article, a computational method by which, pristine as well certain first line and structurally modified drugs were docked with the LipB protein target; where, structurally modified 2, 6 Dimethoxyisonicotinohydrazide show superior target docking.},
 year = {2015}
}

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TY  - JOUR
T1  - Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide
AU  - Muthuraman Namasivayam
AU  - Suresh Ramraj Subashchandrabose
Y1  - 2015/07/28
PY  - 2015
N1  - https://doi.org/10.11648/j.cbb.20150304.11
DO  - 10.11648/j.cbb.20150304.11
T2  - Computational Biology and Bioinformatics
JF  - Computational Biology and Bioinformatics
JO  - Computational Biology and Bioinformatics
SP  - 45
EP  - 51
PB  - Science Publishing Group
SN  - 2330-8281
UR  - https://doi.org/10.11648/j.cbb.20150304.11
AB  - Tuberculosis is an infectious airborne disease caused by a bacterial infection that affects the lungs and other parts of the body. Vaccination against tuberculosis is available but proved to be unsuccessful against emerging multi drug and extensive drug resistant bacterial strains. This in turn raises the pressure to speed up the research on developing new and more efficient anti-tuberculosis drugs. Lipoate biosynthesis protein B (LipB) is found to play vital role in the lipoylation process in Mycobacterium tuberculosis and thus making it a very promising drug target. The existing first line drugs such as Isoniazid, Pyrazinamide and Rifampicin etc shows only profound binding affinity with this target protein. Therefore, new or modified drugs with better docking approach that exhibit a closer and stronger binding affinity is essential. This current study opens up a novel approach towards anti-tuberculosis agents by determining drugs that share similar structures with some of the best available first line drug and also happen to possess better binding affinity. In this article, a computational method by which, pristine as well certain first line and structurally modified drugs were docked with the LipB protein target; where, structurally modified 2, 6 Dimethoxyisonicotinohydrazide show superior target docking.
VL  - 3
IS  - 4
ER  -

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