Computational identification of significant immunogenic epitopes of the putative outer membrane proteins from Mycobacterium tuberculosis

Shobana Sundar,Lokesh Thangamani,Shanmughavel Piramanayagam

doi:10.1186/s43141-021-00148-9

Shobana Sundar, Lokesh Thangamani + Show 1 more

Open Access

https://doi.org/10.1186/s43141-021-00148-9

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Abstract

Novel vaccines are required to effectively combat the epidemic spread of tuberculosis. Using in silico approaches, this study focuses on prediction of potential B cell and T cell binding immunogenic epitopes for 30 putative outer membrane proteins of Mtb. Among these, certain immunodominant epitopes of Rv0172, Rv0295c, Rv1006, Rv2264c, and Rv2525c were found, which are capable of binding B-cell and a maximum number of MHC alleles. The selected immunodominant epitopes were screened for their allergenic and antigenic properties, their percentage identity against the human proteome and their structural properties. Further, the binding efficacy of the immunodominant epitopes of Rv0295c and Rv1006 with HLA-DRB1*04:01 was analyzed using molecular docking and molecular dynamics studies. Hence, the in silico-derived immunogenic peptides (epitopes) could potentially be used for the design of subunit vaccines against tuberculosis.

Highlights

Tuberculosis (TB) is caused by pathogenic bacillus Mycobacterium tuberculosis (Mtb) and is a deadly disease that affects millions of people worldwide
Song et al, in [27], have identified 144 putative Outer membrane protein (OMP) of Mtb and we have used this list of OMPs for the prediction of potentially immunogenic epitopes
The B cell epitopes which are allergenic, nonantigenic are not considered for further analysis

Summary

Introduction

Tuberculosis (TB) is caused by pathogenic bacillus Mycobacterium tuberculosis (Mtb) and is a deadly disease that affects millions of people worldwide. In adults, it is shown to have only limited protection against pulmonary TB It Immunoinformatics involves the use of computational tools to predict the immunogenic epitopes or peptides which could be used to design ideal subunit vaccine candidates. These tools use the organism’s genetic information, and it reduces the cost and time taken for the development of vaccines [8]. Subunit vaccines usually consist of certain immunoactive biomolecules such as polypeptides and glycolipids and usually, they need the help of an adjuvant for inducing immune protection. These can be prepared at low cost and highly

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