In Silico Analysis for Determination and Validation of Iron-Regulated Protein from Escherichia coli

• Published in: International journal of peptide research and therapeutics Vol. 25; no. 4; pp. 1523 - 1537
• Main Authors: Sefid, Fateme, Alagheband Bahrami, Armina, Darvish, Maryam, Nazarpour, Robab, Payandeh, Zahra
• Format: Journal Article
• Language: English
• Published: Dordrecht Springer Netherlands 01.12.2019; Springer Nature B.V
• Subjects: Animal Anatomy; Biochemistry; Bioinformatics; Biomedical and Life Sciences; Biosynthesis; E coli; Electron transport; Epitopes; Histology; Immunogenicity; Immunology; Infections; Intestine; Iron; Life Sciences; Molecular Medicine; Morphology; Peroxide; Pharmaceutical Sciences/Technology; Pharmacology/Toxicology; Polymer Sciences; Protein engineering; Proteins; Structure-function relationships; Urinary tract infections; Vaccines; Urinary tract infections; Iron receptor; Vaccine; OMP; Bioinformatics
• ISSN: 1573-3149; 1573-3904
• DOI: 10.1007/s10989-018-9797-3

The iron ion is an essential element in biological processes. Many of biological activities in cells, such as peroxide reduction, nucleotide biosynthesis, and electron transport, are helped via iron ions. Extra-intestinal localities have few iron content; so that, during the infection period, the ExPEC strain attempts to pick up iron from the host. The ireA gene is an iron-regulated gene and is involved in iron attainment in human pathogenic E. coli isolates. A better understanding of the essence of ireA as well as its role in serious E. coli infections will help to provide a new and more effective treatment for E. coli infections. Knowledge of the three-dimensional structure of proteins can contribute to the fraction of their function, as well as their interactions with other compounds such as ligands. In addition, rational modification and protein engineering depend on identification of their 3D structures. Thereafter, various bioinformatics tools were employed to predict their immunological, biochemical and functional properties. Our results indicated that this modeled protein form common beta barrel structures. Our immunological, biochemical and functional analysis have led us to select a region of each antigen harboring the highest immunogenic properties. Our strategy to employ 3D structure prediction and epitope prediction results could be deemed as an amenable approach for efficient vaccine design. Our strategy could pave the way for further structural, functional and therapeutic studies in the context of vaccine design investigations.