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Title |
Isoniazid and thioacetazone may exhibit anti-tubercular activity by binding directly with the active site of mycolic acid cyclopropane synthase: Hypothesis based on computational analysis |
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Authors |
Dibyajyoti Banerjee* & Rajasri Bhattacharyya |
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Affiliation |
Department of Experimental Medicine and Biotechnology, Postgraduate Institute of Medical Education and Research, (PGIMER) Chandigarh-160012
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dibyajyoti5200@yahoo.co.in; *Corresponding author
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Article Type |
Hypthesis
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Date |
Received August 06, 2012; Accepted August 20, 2012; Published August 24, 2012 |
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Abstract |
Isoniazid and thioacetazone are the two important antitubercular drugs. In case of thioacetazone it is established that it inhibits mycolic acid cyclopropane synthase but the exact binding site accounting for such inhibition is presently unknown. In case of isoniazid its action on the said enzyme is unexplored. In this work we have analyzed the binding of isoniazid and thioacetazone with mycolic acid cyclopropane synthase (CmaA1 and CmaA2) using tools of computational biology. We have observed that thioacetazone fits well at the active site of CmaA1 and CmaA2 while isoniazid binds at the active site of CmaA1 only. We have recommended experimental validation of such results. If such results are proved to be fact it will explore the exact binding site of thioacetazone and discover a new mechanism of anti-tubercular action of isoniazid.
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Keywords |
Tuberculosis, Isoniazid, Thioacetazone, Mycolic acid, Pro-drug
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Citation |
Banerjee & Bhattacharyya, Bioinformation 8(16): 787-789 (2012) |
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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License |
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |