PMID- 34217726
OWN - NLM
STAT- MEDLINE
DCOM- 20211008
LR  - 20211008
IS  - 1873-6254 (Electronic)
IS  - 0001-706X (Linking)
VI  - 222
DP  - 2021 Oct
TI  - Designing an epitope vaccine against Dermatophagoides pteronyssinus: An in silico 
      study.
PG  - 106028
LID - S0001-706X(21)00207-2 [pii]
LID - 10.1016/j.actatropica.2021.106028 [doi]
AB  - 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.
CI  - Copyright (c) 2021. Published by Elsevier B.V.
FAU - Adji, Aryani
AU  - Adji A
AD  - Entomology Study Program, Sam Ratulangi University, Manado, North Sulawesi 95115, 
      Indonesia; Dermatovenereology Department, Faculty of Medicine, RD Kandou 
      Hospital, Manado, North Sulawesi 95163, Indonesia.
FAU - Niode, Nurdjannah J
AU  - Niode NJ
AD  - Entomology Study Program, Sam Ratulangi University, Manado, North Sulawesi 95115, 
      Indonesia; Dermatovenereology Department, Faculty of Medicine, RD Kandou 
      Hospital, Manado, North Sulawesi 95163, Indonesia. Electronic address: 
      niodejane@unsrat.ac.id.
FAU - Memah, Ventje V
AU  - Memah VV
AD  - Entomology Study Program, Sam Ratulangi University, Manado, North Sulawesi 95115, 
      Indonesia.
FAU - Posangi, Jimmy
AU  - Posangi J
AD  - Department of Pharmacology, Faculty of Medicine, Sam Ratulangi University, 
      Manado, North Sulawesi 95115, Indonesia.
FAU - Wahongan, Greta J P
AU  - Wahongan GJP
AD  - Parasitology Department, Faculty of Medicine, Sam Ratulangi University, Manado, 
      North Sulawesi 95163, Indonesia. Electronic address: gretapaula@unsrat.ac.id.
FAU - Ophinni, Youdiil
AU  - Ophinni Y
AD  - Ragon Institute of MGH, MIT and Harvard, Cambridge, MA 02139, USA. Electronic 
      address: yophinni@mgh.harvard.edu.
FAU - Idroes, Rinaldi
AU  - Idroes R
AD  - Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas 
      Syiah Kuala, Banda Aceh, Aceh 23111, Indonesia. Electronic address: 
      rinaldi.idroes@unsyiah.ac.id.
FAU - Mahmud, Shafi
AU  - Mahmud S
AD  - Microbiology Laboratory, Department of Genetic Engineering and Biotechnology, 
      University of Rajshahi, Rajshahi 6205, Bangladesh.
FAU - Emran, Talha Bin
AU  - Emran TB
AD  - Department of Pharmacy, BGC Trust University Bangladesh, Chittagong 4381, 
      Bangladesh. Electronic address: talhabmb@bgctub.ac.bd.
FAU - Nainu, Firzan
AU  - Nainu F
AD  - Faculty of Pharmacy, Hasanuddin University, Tamalanrea, Makassar 90245, 
      Indonesia. Electronic address: firzannainu@unhas.ac.id.
FAU - Tallei, Trina E
AU  - Tallei TE
AD  - Department of Biology, Faculty of Mathematics and Natural Sciences, Sam Ratulangi 
      University, Manado, North Sulawesi 95115, Indonesia. Electronic address: 
      trina_tallei@unsrat.ac.id.
FAU - Harapan, Harapan
AU  - Harapan H
AD  - Medical Research Unit, School of Medicine, Universitas Syiah Kuala, Banda Aceh, 
      Aceh 23111, Indonesia; Department of Microbiology, School of Medicine, 
      Universitas Syiah Kuala, Banda Aceh, Aceh 23111, Indonesia; Tropical Disease 
      Centre, School of Medicine, Universitas Syiah Kuala, Banda Aceh, Aceh 23111, 
      Indonesia. Electronic address: harapan@unsyiah.ac.id.
LA  - eng
PT  - Journal Article
DEP - 20210701
PL  - Netherlands
TA  - Acta Trop
JT  - Acta tropica
JID - 0370374
RN  - 0 (Antigens, Dermatophagoides)
RN  - 0 (Epitopes, B-Lymphocyte)
RN  - 0 (Epitopes, T-Lymphocyte)
RN  - 0 (Vaccines)
SB  - IM
MH  - Animals
MH  - *Antigens, Dermatophagoides/immunology
MH  - Computer Simulation
MH  - *Dermatophagoides pteronyssinus/immunology
MH  - Epitopes, B-Lymphocyte
MH  - Epitopes, T-Lymphocyte
MH  - Humans
MH  - Hypersensitivity/*prevention & control
MH  - Molecular Docking Simulation
MH  - *Vaccines
OTO - NOTNLM
OT  - Dermatophagoides pteronyssinus
OT  - Epitopes
OT  - Immunoglobulin E
OT  - In silico
OT  - Vaccines
EDAT- 2021/07/05 06:00
MHDA- 2021/10/09 06:00
CRDT- 2021/07/04 20:38
PHST- 2020/12/29 00:00 [received]
PHST- 2021/06/20 00:00 [revised]
PHST- 2021/06/23 00:00 [accepted]
PHST- 2021/07/05 06:00 [pubmed]
PHST- 2021/10/09 06:00 [medline]
PHST- 2021/07/04 20:38 [entrez]
AID - S0001-706X(21)00207-2 [pii]
AID - 10.1016/j.actatropica.2021.106028 [doi]
PST - ppublish
SO  - Acta Trop. 2021 Oct;222:106028. doi: 10.1016/j.actatropica.2021.106028. Epub 2021 
      Jul 1.