Exploring structural proteins of Nipah, Lassa, and coronaviruses for multi-epitope vaccine design using immuno-informatics and in silico studies

Abstract

Objective

In recent years, public awareness of the risks posed by zoonotic diseases has significantly increased. Nipah virus (NiV) and Coronavirus are known to cause serious respiratory and neurological effects, while Lassa virus is a hemorrhagic virus. The current study employs an immunoinformatics approach to predict antigenic epitopes against NiV, Lassa virus (LASV), and Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) for the development of multi-epitope vaccines (MEV) and to identify the potential drug molecules using molecular docking approaches.

Results

Thirteen Cytotoxic T lymphocyte (CTL) epitopes for SARS-CoV-2, three for NiV, and three for LASV were selected. Additionally, eight Helper T lymphocyte (HTL) epitopes for NiV, seven for SARS-CoV-2, and five for LASV, all of which demonstrated antigenicity, non-allergenicity, and non-toxicity were identified and included. Molecular docking and subsequent construction of the 3D structure for the best epitopes from each virus revealed stable and strong binding affinities between the MEV and human pathogenic Toll-like receptors (TLRs), specifically TLR3 and TLR8.

Conclusion

This work presents evidence of in silico research on vaccine design and molecular docking against the Nipah, Lassa viruses and SARS-CoV-2 target proteins. It highlights the computational approaches used for drug repurposing and the exploration of natural drug compounds. These findings suggest that the plant-derived or naturally sourced drugs exhibit significant potential in combating viral diseases in humans.