Title

Insights from the analysis of predicted Rv0679c protein peptide from Mycobacterium tuberculosis with Toll like Receptors in host
 

Authors

Rupa Lavarti, Jayasree Ganugapati, Shirisa Ratcha, Lakshmana SS Rao, Krovvidi SR SivaSai*
 

Affiliation

Department of Biotechnology, Sreenidhi Institute of Science & Technology, Ghatkesar, Hyderabad – 501301
 

Email

Krovvidi S R SivaSai - Tel: (+91) 9949128880; E-mail:ksrsivasai@sreenidhi.edu.in; *Corresponding author,
 

Article Type

Hypothesis

Date

Received May 16, 2016; Revised July 14, 2016; Accepted July 20, 2016; Published August 15, 2016
 

Peptides of Rv0679c a membrane protein of the cell envelope (16.6 KDa) of Mycobacterium tuberculosis (M. tb), inhibited entry of live bacilli into epithelial (A549) and macrophage (U937) cell lines in vitro, suggesting a possible role in invasion. Receptors associated with Rv0679c
antigen entry into cell lines were not characterized. We are reporting that Rv0679c peptides could bind to Toll like receptors (TLRs), the principal class of pathogen recognition receptors on host cells (PRR) by docking studies. Peptide structures were predicted using PEP FOLD and docking of truncated peptides with TLR’s was performed using Cluspro 2.0. Docked complexes were analyzed using Swiss-PDB Viewer. Nine peptides of Rv0679c protein assessed were able to bind to TLR2-1 and TLR 4-MD2; however the binding energy was better with TLR 4-MD2. Peptide 30985 (-866.4 kcal/mol) has better binding energy with TLR2-1, in contrast peptide 30982 showed a better
binding energy to TLR 4-MD2 dimer with a score of -1291.7 kcal/mol. Interactive residue analysis revealed that GLU 173 and SER 454 of TLR 1; ARG 447 and ARG 486 of TLR2; ARG 264 of TLR 4 and SER 120, LYS 122 and GLU 92 of MD2 region are predominant residues interacting with peptides of Rv0679c protein. Our study suggests that predominant residues and receptors of TLR2 and TLR4 are important for Rv0679c protein binding, which could further lead to invasion of M. tb into the host cell.
 

Keywords:

Mycobacterium tuberculosis, Rv0679c, toll like receptors, peptides, invasion.

Citation

Lavarti et al. Bioinformation 2016 12(5) 293-299.

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

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.