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

• Published in: Clinical and experimental vaccine research (Seoul) 2020, 9(2), , pp.146-158
• Main Authors: Majidiani, Hamidreza, Soltani, Shahrzad, Ghaffari, Ali Dalir, Sabaghan, Mohamad, Taghipour, Ali, Foroutan, Masoud
• Format: Article
• Language: English
• Subjects: Accuracy; Amino acids; Antigens; Bioinformatics; Cysts; Cytotoxicity; Ethics; Infections; Kinases; Localization; Original; Phosphorylation; Proteins; Servers; 예방의학
• ISSN: 2287-3651; 2287-366X
• DOI: 10.7774/cevr.2020.9.2.146

The 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 . Various web servers were employed for the analysis of physico-chemical 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. 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 CDPK3 protein. This article provides a foundation for further investigations, and laid a theoretical basis for the development of an appropriate vaccine against infection.