In-silico inhibition study of Mycobacterium tuberculosis gyrase type IIA topoisomerase by marine natural products

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Rahul Shrivastava Mohammad Yasir, Manish Kumar Tripathi, Pushpendra Singh and Tayuir Muri

Department of Biological Science & Engineering, Maulana Azad National Institute of Technology-Bhopal, India

Tuberculosis is an infectious disease caused by Mycobacterium tuberculosis. It’s   typically affects the lungs, but also affects other parts of body. In present study molecular docking approach is used to determine the interaction mechanism of marine natural product with the gyrase type IIA topoisomerase protein of Mycobacterium tuberculosis. This protein is widely used as the target for the development of anti tuberculosis drugs and remains a vibrant area for the drug development. For molecular docking analysis Patchdock server was used. Among the chosen marine natural compound Manzamine-F shows the highest inhibition against the selected protein and the patch dock score of this interaction is 6256 kcal/mole. Thus, based on this study we can say that Manzamine-F can be used as lead compound against Mycobacterium tuberculosis gyrase type IIA topoisomerase protein.

 

Key words: Marine natural products; Topoisomerase gyrase; Mycobacterium tuberculosis; Molecular docking

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