Clin Exp Vaccine Res.  2020 Jul;9(2):146-158. 10.7774/cevr.2020.9.2.146.

In-depth computational analysis of calcium-dependent protein kinase 3 of Toxoplasma gondii provides promising targets for vaccination

• Majidiani H
• Soltani S
• Ghaffari AD
• Sabaghan M
• Taghipour A
• Foroutan M

• KMID: 2511704
• DOI: http://doi.org/10.7774/cevr.2020.9.2.146

Abstract

Purpose
The Toxoplasma gondii calcium-dependent protein kinase-3 (CDPK3) is a key enzyme for parasite egress, control of calcium-dependent permeabilization in parasitophorous vacuole membrane and tissue cyst formation. In this study, we comprehensively explored the bioinformatics features of this protein to improve vaccine design against T. gondii.
Materials and Methods
Various web servers were employed for the analysis of physicochemical properties, post-translational modifications, localization in the subcellular milieu, secondary and tertiary structures, as well as B-cell, major histocompatibility complex (MHC)-binding and cytotoxic T-lymphocyte (CTL) epitopes.
Results
This protein was a 537 amino acid antigenic and non-allergenic molecule with a molecular weight of 60.42 kDa, a grand average of hydropathicity score of -0.508, and aliphatic index of 79.50. There exists 46.74% alpha helix, 12.48% extended strand, and 40.78% random coil in the secondary structure. Ramachandran plot of the refined model demonstrated 99.3%, 0.7%, and 0.0% of residues in the favored, allowed and outlier areas, respectively. Besides, various potential B-cell (continuous and conformational), MHC-binding and CTL epitopes were predicted for Toxoplasma CDPK3 protein.
Conclusion
This article provides a foundation for further investigations, and laid a theoretical basis for the development of an appropriate vaccine against T. gondii infection.

Keyword

Toxoplasma; Calcium-dependent protein kinase-3; Bioinformatics; In silico; Vaccine