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Computational Analysis of Interaction between Mycobacterial Antigens Rv0679c and Rv0180c with Toll like Receptors of Human and Mouse

International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Year of Publication: 2016
Rupa Lavarti, Jayasree Ganugapati, Shirisha Ratcha, Krovvidi S. R. SivaSai

Rupa Lavarti, Jayasree Ganugapati, Shirisha Ratcha and Krovvidi S R SivaSai. Computational Analysis of Interaction between Mycobacterial Antigens Rv0679c and Rv0180c with Toll like Receptors of Human and Mouse. International Journal of Computer Applications 148(3):1-6, August 2016. BibTeX

	author = {Rupa Lavarti and Jayasree Ganugapati and Shirisha Ratcha and Krovvidi S. R. SivaSai},
	title = {Computational Analysis of Interaction between Mycobacterial Antigens Rv0679c and Rv0180c with Toll like Receptors of Human and Mouse},
	journal = {International Journal of Computer Applications},
	issue_date = {August 2016},
	volume = {148},
	number = {3},
	month = {Aug},
	year = {2016},
	issn = {0975-8887},
	pages = {1-6},
	numpages = {6},
	url = {},
	doi = {10.5120/ijca2016911062},
	publisher = {Foundation of Computer Science (FCS), NY, USA},
	address = {New York, USA}


Toll like receptors (TLRs) play a key role in the innate immune response to infectious agents. The Mycobacterium tuberculosis bacilli and its antigens interaction with TLR-2-1 and TLR-4-MD2 were shown to activate intracellular signalling which determines the outcome of the disease. Present study focused on two new antigens Rv0679c and Rv0180c of M.tb H37Rv and their interactions with human and mouse TLRs using computational approach. Structures of Rv0679c and Rv0180c antigens of M.tb were generated using I-TASSER and docked with TLR-2-1 and TLR-4-MD2 complexes of human and mouse using Cluspro2.0. Rv0180c antigen has better binding energy to both human and mouse TLR-2-1 and TLR-4-MD2 compared to Rv0679c and other mycobacterial antigens. The Rv0679c and Rv0180c antigens have better binding energy to TLR 4-MD2 complex compared to TLR-2-1 in both human and mouse. Both antigens has better binding energy to mouse TLRs compared to human except where Rv0180c has better binding to human TLR-2-1. Our findings suggest that Rv0180c might be the preferred for binding to TLRs than Rv0679c and within TLRs, TLR-4-MD2 for interaction.


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Mycobacterium tuberculosis, toll like receptors, invasion, I-TASSER, docking, ClusPro