Region-Based Epitope Prediction, Docking and Dynamic Studies of OMP31 as a Dominant Antigen in Human and Sheep Brucella

Hasani, Saeideh Mohammad; Mohammadi, Elyas; Sekhavati, Mohammad Hadi

doi:10.1007/s10989-019-09847-x

Cited by 5 publications

(1 citation statement)

References 38 publications

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“…The OMP31 protein is the main immunogenic and immunodominant protein of Brucella . Except for B. abortus , which naturally lacks the gene encoding this protein, all Brucella species can express OMP31 (Mohammad Hasani et al, 2020). Since antibodies against both the OMP31 and BP26 proteins are produced in sheep brucellosis and antibodies against only the BP26 protein are produced in infected cattle, BP26 is used as a diagnostic antigen to determine whether brucellosis infection is present, and OMP31 is used as a differential antigen for the differential diagnosis of bovine or sheep brucellosis.…”

Section: Introductionmentioning

confidence: 99%

Visual typing detection of brucellosis with a lateral flow immunoassay based on coloured latex microspheres

Shi

Tang

et al. 2021

J of Applied Microbiology

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Aims Treatment and preventive control strategies for Brucella melitensis (B. melitensis) and Brucella abortus (B. abortus) infection differ. A lateral flow immunoassay (LFIA) for the rapid typing and detection of brucellosis by using polychromatic dye‐doped latex microspheres (LMs) as a labelling material was developed. Methods and results This LFIA utilizes a double‐antigen sandwich method in which the BP26 protein is used as the diagnostic antigen to detect brucellosis infection and the OMP31 protein is used as the identified antigen to distinguish between bovine and sheep brucellosis. Thus, people and animals infected with brucellosis can be diagnosed according to the different colours of the signals displayed on the detection lines. The results indicated that the accuracy of this assay was found to reach 98%, and the immunochromatographic test strip is highly accurate, shows good sensitivity and can facilitate typing diagnosis, among other features. Conclusions The established LFIA can distinguish B. melitensis infection from B. abortus infection and produces results in a short period of time while retaining the advantages of LFIAs. Significance and impact of the study This technology lays a foundation for the development of multi‐disease test strips and the establishment of methods for rapid, multi‐specimen quantitative detection and is thus of great importance for the development of medical diagnostic technologies.

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Section: Introductionmentioning

confidence: 99%

Visual typing detection of brucellosis with a lateral flow immunoassay based on coloured latex microspheres

Shi

Tang

et al. 2021

J of Applied Microbiology

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In silico discovery of epitopes of gag and env proteins for the development of a multi-epitope vaccine candidate against Maedi Visna Virus using reverse vaccinology approach

Koçkaya,

Can,

Yaman

et al. 2023

Biologicals

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Bioinformatics approach for structure modeling, vaccine design, and molecular docking of Brucella candidate proteins BvrR, OMP25, and OMP31

Elrashedy,

Nayel,

Salama

et al. 2024

Sci Rep

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Brucellosis is a zoonotic disease with significant economic and healthcare costs. Despite the eradication efforts, the disease persists. Vaccines prevent disease in animals while antibiotics cure humans with limitations. This study aims to design vaccines and drugs for brucellosis in animals and humans, using protein modeling, epitope prediction, and molecular docking of the target proteins (BvrR, OMP25, and OMP31). Tertiary structure models of three target proteins were constructed and assessed using RMSD, TM-score, C-score, Z-score, and ERRAT. The best models selected from AlphaFold and I-TASSER due to their superior performance according to CASP 12 – CASP 15 were chosen for further analysis. The motif analysis of best models using MotifFinder revealed two, five, and five protein binding motifs, however, the Motif Scan identified seven, six, and eight Post-Translational Modification sites (PTMs) in the BvrR, OMP25, and OMP31 proteins, respectively. Dominant B cell epitopes were predicted at (44–63, 85–93, 126–137, 193–205, and 208–237), (26–46, 52–71, 98–114, 142–155, and 183–200), and (29–45, 58–82, 119–142, 177–198, and 222–251) for the three target proteins. Additionally, cytotoxic T lymphocyte epitopes were detected at (173–181, 189–197, and 202–210), (61–69, 91–99, 159–167, and 181–189), and (3–11, 24–32, 167–175, and 216–224), while T helper lymphocyte epitopes were displayed at (39–53, 57–65, 150–158, 163–171), (79–87, 95–108, 115–123, 128–142, and 189–197), and (39–47, 109–123, 216–224, and 245–253), for the respective target protein. Furthermore, structure-based virtual screening of the ZINC and DrugBank databases using the docking MOE program was followed by ADMET analysis. The best five compounds of the ZINC database revealed docking scores ranged from (− 16.8744 to − 15.1922), (− 16.0424 to − 14.1645), and (− 14.7566 to − 13.3222) for the BvrR, OMP25, and OMP31, respectively. These compounds had good ADMET parameters and no cytotoxicity, while DrugBank compounds didn't meet Lipinski's rule criteria. Therefore, the five selected compounds from the ZINC20 databases may fulfill the pharmacokinetics and could be considered lead molecules for potentially inhibiting Brucella’s proteins.

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Region-Based Epitope Prediction, Docking and Dynamic Studies of OMP31 as a Dominant Antigen in Human and Sheep Brucella

Cited by 5 publications

References 38 publications

Visual typing detection of brucellosis with a lateral flow immunoassay based on coloured latex microspheres

Visual typing detection of brucellosis with a lateral flow immunoassay based on coloured latex microspheres

In silico discovery of epitopes of gag and env proteins for the development of a multi-epitope vaccine candidate against Maedi Visna Virus using reverse vaccinology approach

Bioinformatics approach for structure modeling, vaccine design, and molecular docking of Brucella candidate proteins BvrR, OMP25, and OMP31

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