Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide
Computational Biology and Bioinformatics
Volume 3, Issue 4, August 2015, Pages: 45-51
Received: Jul. 8, 2015;
Accepted: Jul. 18, 2015;
Published: Jul. 28, 2015
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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
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.
Suresh Ramraj Subashchandrabose,
Molecular Docking Interaction of Mycobacterium Tuberculosis LipB Enzyme with Isoniazid, Pyrazinamide and a Structurally Altered Drug 2, 6 Dimethoxyisonicotinohydrazide, Computational Biology and Bioinformatics.
Vol. 3, No. 4,
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