A comprehensive immunoinformatics study to explore and characterize potential vaccine constructs against Ole e 9 allergen of Olea europaea

Abstract

Immunoglobulin E (IgE)-mediated allergy, which affects more than 30% of the population, is the most prevalent hypersensitivity illness. In an atopic individual, even a small amount of allergen exposure can cause IgE antibodies to be produced. Due to the engagement of receptors that are highly selective for IgE, even tiny amounts of allergens can induce massive inflammation. This study focuses on the exploration and characterization of the allergen potential of Olea europaea allergen (Ole e 9) affecting the population in Saudi Arabia. A systematic computational approach was performed to identify potential epitopes of allergens and complementary determining regions of IgE. In support, physiochemical characterization and secondary structure analysis unravel the structural conformations of allergens and active sites. Epitope prediction uses a pool of computational algorithms to identify plausible epitopes. Furthermore, the vaccine construct was assessed for its binding efficiency using molecular docking and molecular dynamics simulation studies, which led to strong and stable interactions. This is because IgE is known to play a role in allergic responses, which facilitate host cell activation for an immune response. Overall, the immunoinformatics analysis advocates that the proposed vaccine candidate is safe and immunogenic and therefore can be pushed as a lead for in vitro and in vivo investigations.

Communicated by Ramaswamy H. Sarma

Keywords:

• Olea europaea allergen
• IgE-mediated allergy
• epitope identification
• conservation analysis
• CDR identification
• molecular docking
• MD simulation

Acknowledgement

The authors are thankful to the bioinformatics laboratory facility provided by the Department of Agriculture, Food and Nutritional Sciences, University of Alberta, Edmonton, Canada, and Deanship of Scientific Research, University of Ha’il, Ha’il 55476, Saudi Arabia, for this research work.

Disclosure statement

The authors declare no conflict of interest.

Authors’ contributions

Conceptualization, MAK and TB; Data curation, FA and SA; Funding acquisition, MAK; Investigation, SMHA; Resources, MKA and AA; Supervision, KFA; Writing—original draft, TB and MS; Writing—review & editing, MZN and MS.

Additional information

Funding

This research has been funded by Scientific Research Deanship at University of Ha’il- Saudi Arabia, through project number RG-21 047.