Aryani Adji, Nurdjannah J. Niode, Ventje V. Memah, Jimmy Posangi, Greta J.P. Wahongan, Youdiil Ophinni, Rinaldi Idroes, Shafi Mahmud, Talha Bin Emran, Firzan Nainu, Trina E. Tallei, Harapan Harapan
The house dust mite, Dermatophagoides pteronyssinus, is a major source of the inhaled allergen Der p 1, which causes immunoglobulin E (IgE)-mediated hypersensitivity reactions manifesting in allergic diseases. To date, no drugs or vaccines effectively treat or prevent Der p 1 sensitization. We applied in silico immunoinformatics to design T-cell and B-cell epitopes that were specified and developed from the allergen Der p 1 of D. pteronyssinus. We identified the conserved epitope areas by predicting the accessibility and flexibility of B-cell epitopes, and the percentage of human leukocyte antigen representing T cells. Molecular docking using HADDOCK software indicated three optimal clusters: cluster 6 (z-score: -2.1), cluster 1 (z-score: -1.2), and cluster 3 (z-score: -0.6). The most negative Z-score was found in cluster 6, which represented three epitopes. The interaction between A chain proteins (IgE protein residues) and B chains (Der p 1 protein residues) exhibited a knowledge-based FADE and contact value >1, suggesting the best protein interactions occurred in the conserved area. Molecular dynamic simulation further predicted the stable nature of Der p 1 protein. The IQRDNGYQP region is the best candidate to be utilized as a D. pteronyssinus epitope vaccine, which could be used in the development of allergen-specific immunotherapy. © 2021
Entomology Study Program, Sam Ratulangi University, Manado, 95115, North Sulawesi, Indonesia; Dermatovenereology Department, Faculty of Medicine, RD Kandou Hospital, Manado, 95163, North Sulawesi, Indonesia; Department of Pharmacology, Faculty of Medicine, Sam Ratulangi University, Manado, 95115, North Sulawesi, Indonesia; Parasitology Department, Faculty of Medicine, Sam Ratulangi University, Manado, 95163, North Sulawesi, Indonesia; Ragon Institute of MGH, MIT and Harvard, Cambridge, 02139, MA, United States; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Aceh, Indonesia; Microbiology Laboratory, Department of Genetic Engineering and Biotechnology, University of Rajshahi, Rajshahi, 6205, Bangladesh; Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh; Faculty of Pharmacy, Hasanuddin University, Tamalanrea, 90245, Makassar, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado, 95115, North Sulawesi, Indonesia; Medical Research Unit, School of Medicine, Universitas Syiah Kuala, Banda Aceh, 23111, Aceh, Indonesia; Department of Microbiology, School of Medicine, Universitas Syiah Kuala, Banda Aceh, 23111, Aceh, Indonesia; Tropical Disease Centre, School of Medicine, Universitas Syiah Kuala, Banda Aceh, 23111, Aceh, Indonesia
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