In Silico Prediction of Cross-Reactive Epitopes of Tropomyosin from Shrimp and Other Arthropods Involved in Allergy.
Jirakrit SaetangVaromyalin TipmaneeSoottawat BenjakulPublished in: Molecules (Basel, Switzerland) (2022)
Tropomyosin in shellfish is considered a major cross-reactive allergen in house dust mites and cockroaches; however, the specific epitopes have not been elucidated. Therefore, this study aimed to identify the consensus antigenic determinant among shrimp, house dust mites, and cockroaches using in silico methods. The protein sequences of tropomyosin, including Der f 10, Mac r 1, Pen a 1, Pen m 1, Per a 7, and Bla g 7, were retrieved from the UniProt database. The 3D structures were derived from the AlphaFold or modeled using the Robetta. The determination of linear epitopes was performed by AlgPRED and BepiPRED for B cell epitope, and NetMHCIIpan and NetMHCII for T cell epitope, while Ellipro was used to evaluate conformational epitopes. Fourteen peptides were discovered as the consensus linear B cell epitopes, while seventeen peptides were identified as linear T cell epitopes specific to high-frequency HLA-DR and HLA-DQ alleles. The conformational determination of B cell epitopes provided nine peptides, in which residues 209, 212, 255-256, and 258-259 were found in both linear B cell and linear T cell epitope analysis. This data could be utilized for further in vitro study and may contribute to immunotherapy for allergic diseases associated with tropomyosin.
Keyphrases
- high frequency
- molecular dynamics
- transcranial magnetic stimulation
- molecular docking
- emergency department
- monoclonal antibody
- high resolution
- clinical practice
- risk assessment
- health risk assessment
- molecularly imprinted
- electronic health record
- mass spectrometry
- deep learning
- polycyclic aromatic hydrocarbons
- drinking water
- multidrug resistant
- protein protein
- binding protein