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Immunoinformatics based vaccine design for zea M 1 pollen allergen

Basu, Anamika ; Sarkar, Anasua LU orcid and Basak, Piyali (2018) In Journal of Young Pharmacists 10(3). p.260-266
Abstract

Objective: Zea m1 is one of the most common aeroallergens, causing allergy. This pollen allergen, present in maize, is responsible for type I hypersensitivity reaction. Despite having available X ray crystal structure of this pollen allergen, no definite vaccine has been developed for allergic disorder in humans. Method: In our present study, an epitope-based peptide vaccine against Zea m 1 pollen allergen, using a combination of B cell and T cell epitope predictions, followed by molecular docking and molecular dynamics simulation methods are carried out. Here, protein sequences of homologous pollen allergens of Zea m1 are collected and conserved regions present in them are investigated. Result: From the identified region of the... (More)

Objective: Zea m1 is one of the most common aeroallergens, causing allergy. This pollen allergen, present in maize, is responsible for type I hypersensitivity reaction. Despite having available X ray crystal structure of this pollen allergen, no definite vaccine has been developed for allergic disorder in humans. Method: In our present study, an epitope-based peptide vaccine against Zea m 1 pollen allergen, using a combination of B cell and T cell epitope predictions, followed by molecular docking and molecular dynamics simulation methods are carried out. Here, protein sequences of homologous pollen allergens of Zea m1 are collected and conserved regions present in them are investigated. Result: From the identified region of the allergenic protein, the peptide sequence KVPPGPNITTNY and the sequence AEWKPMKLSM are considered as the most potential B cell andT cell epitopes respectively. Furthermore, this predicted T cell epitope AEWKPMKLSM interacted with MHC allelic protein HLA-B*44:02 with the lowest IC50 value (7.94 nM). This epitope perfectly fitted into the epitope binding groove of alpha helix of MHC I molecule with lowest energy weighted score -620.0, showing stability in MHC binding. This epitope also showed a good conservancy of 69.75% in world population coverage. Conclusion: The epitopes KVPPGPNITTNY and AEWKPMKLSM may be considered as potential peptide for peptide vaccine for pollen allergen after further experimental study.

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author
; and
publishing date
type
Contribution to journal
publication status
published
keywords
B cell epitope, Immunoinformatics, Molecular docking, Molecular dynamics, T cell epitope, Vaccine design, Zea m1 pollen allergen
in
Journal of Young Pharmacists
volume
10
issue
3
pages
7 pages
publisher
EManuscript Services
external identifiers
  • scopus:85050267729
ISSN
0975-1483
DOI
10.5530/jyp.2018.10.59
language
English
LU publication?
no
id
97e3417f-d343-4017-96b7-390e38a5a055
date added to LUP
2018-10-09 09:42:21
date last changed
2022-03-25 04:39:15
@article{97e3417f-d343-4017-96b7-390e38a5a055,
  abstract     = {{<p>Objective: Zea m1 is one of the most common aeroallergens, causing allergy. This pollen allergen, present in maize, is responsible for type I hypersensitivity reaction. Despite having available X ray crystal structure of this pollen allergen, no definite vaccine has been developed for allergic disorder in humans. Method: In our present study, an epitope-based peptide vaccine against Zea m 1 pollen allergen, using a combination of B cell and T cell epitope predictions, followed by molecular docking and molecular dynamics simulation methods are carried out. Here, protein sequences of homologous pollen allergens of Zea m1 are collected and conserved regions present in them are investigated. Result: From the identified region of the allergenic protein, the peptide sequence KVPPGPNITTNY and the sequence AEWKPMKLSM are considered as the most potential B cell andT cell epitopes respectively. Furthermore, this predicted T cell epitope AEWKPMKLSM interacted with MHC allelic protein HLA-B*44:02 with the lowest IC<sub>50</sub> value (7.94 nM). This epitope perfectly fitted into the epitope binding groove of alpha helix of MHC I molecule with lowest energy weighted score -620.0, showing stability in MHC binding. This epitope also showed a good conservancy of 69.75% in world population coverage. Conclusion: The epitopes KVPPGPNITTNY and AEWKPMKLSM may be considered as potential peptide for peptide vaccine for pollen allergen after further experimental study.</p>}},
  author       = {{Basu, Anamika and Sarkar, Anasua and Basak, Piyali}},
  issn         = {{0975-1483}},
  keywords     = {{B cell epitope; Immunoinformatics; Molecular docking; Molecular dynamics; T cell epitope; Vaccine design; Zea m1 pollen allergen}},
  language     = {{eng}},
  month        = {{07}},
  number       = {{3}},
  pages        = {{260--266}},
  publisher    = {{EManuscript Services}},
  series       = {{Journal of Young Pharmacists}},
  title        = {{Immunoinformatics based vaccine design for zea M 1 pollen allergen}},
  url          = {{http://dx.doi.org/10.5530/jyp.2018.10.59}},
  doi          = {{10.5530/jyp.2018.10.59}},
  volume       = {{10}},
  year         = {{2018}},
}