ISSN : 0975-3087
EISSN : 0975-9115
Preenon Bagchi1*, Mary Jenifa R.2
1Azyme Biosciences Pvt. Ltd., Bangalore-560069
2S.R.M. Arts & Science College, Kattankulathur-603 203
* Corresponding Author : preenonb@yahoo.com
Received : - Accepted : - Published : 15-06-2010
Volume : 2 Issue : 1 Pages : 15 - 19
Int J Bioinformatics Res 2.1 (2010):15-19
DOI : http://dx.doi.org/10.9735/0975-3087.2.1.15-19
Keywords : Hansen Disease, Leprosy, Beta-integrin, Bioinformatics, Mycobacterium leprae, Ayurveda,
Homology modeling, Docking
Conflict of Interest : None declared
Leprosy or Hansen disease is a slowly progressive infection caused by Mycobacterium leprae, affecting the skin and peripheral nerves and resulting in disabling deformities. Studies show that M. leprae binds to nasal epithelial cells in human after binding to fibronectin, using Beta-integrins (ITGB1) as receptors. The corresponding component on M. leprae, which binds to fibronectin, Fibronectin Attachment Protein (FAP), has been identified .The 3D structure of both the human (ITGB1) and M.leprae (FAP-L) protein involved in this mechanism are modeled using homology modeling. Hemolin, an insect-immune protein belonging to the immunoglobulin superfamily is found to have an efficient defense system against bacterial infections. So this protein is selected and its 3D structure is modeled too. The active compound Anacardic acid of marine brown alga Fucus vesiculosus and the compound Polyhydroxylated fucophlorethol of Anacardium occidentale is found to have antibacterial activity. Their structure was drawn using Chemsketch, combined and converted to *.pdb. The combination is docked with Hemolin protein. This docked compound is again redocked with the human ITGB1 protein using GRAMM-X. Again, the combination (Anacardic acid and Polyhydroxylated fucophlorethol) was docked with M. leprae which proves that the combination can be effective in curing Hansen disease.
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