PMID- 35514257
OWN - NLM
STAT- MEDLINE
DCOM- 20220812
LR  - 20221003
IS  - 1099-1352 (Electronic)
IS  - 0952-3499 (Linking)
VI  - 35
IP  - 9
DP  - 2022 Sep
TI  - Computational design of immunogenic peptide constructs comprising multiple human 
      leukocyte antigen restricted dengue virus envelope epitopes.
PG  - e2961
LID - 10.1002/jmr.2961 [doi]
AB  - Dengue virus (DENV) is endemic in 100 countries with the ability to impact nearly 
      50% of world population. DENV envelope (E) protein is responsible for viral 
      attachment to host cells and has been target of various countermeasure 
      development efforts. The current study focuses on a consensus computational 
      approach to identify cross-reactive, immunogenic DENV-2 E peptides displaying 
      promiscuity with a wide array of human leukocyte antigen (HLA) molecules. Four 
      conserved peptides (FP-1, FP-2, FP-3 and FP-4) containing multiple CD8(+) and 
      CD4(+) T cell epitopes were identified by employment of various immunoinformatics 
      tools. FP-1, FP-2, FP-3 and FP-4 were estimated to bind with 227, 1787, 1008 and 
      834 HLA alleles, respectively. Root mean square deviation (RMSD) values obtained 
      by molecular docking (CABS-Dock) with 20 HLA alleles (10 each of HLA classes I 
      and II) resulted into comparable RMSD values of identified epitopes with native 
      peptides, which represents the natural presentation of epitopes to HLA molecules. 
      These peptides were also found to be part of previous experimentally validated 
      immunogenic peptides. Further, a dengue immunogenic peptide construct was 
      generated by linking the four peptides, an adjuvant and a 6x histidine tag. The 
      construct showed strong binding and stability with Toll-like receptor. 
      Collectively, these results provide strong evidence in the support of the 
      immunogenic potential of the dengue immunogenic peptide construct.
CI  - (c) 2022 John Wiley & Sons Ltd.
FAU - Kaushal, Neha
AU  - Kaushal N
AD  - Department of Biotechnology, Thapar Institute of Engineering and Technology, 
      Patiala, Punjab, India.
FAU - Jain, Sahil
AU  - Jain S
AD  - Department of Biotechnology, Thapar Institute of Engineering and Technology, 
      Patiala, Punjab, India.
AD  - University Institute of Biotechnology, Chandigarh University, Mohali, Punjab, 
      India.
FAU - Baranwal, Manoj
AU  - Baranwal M
AUID- ORCID: 0000-0002-6581-9346
AD  - Department of Biotechnology, Thapar Institute of Engineering and Technology, 
      Patiala, Punjab, India.
LA  - eng
PT  - Journal Article
DEP - 20220520
PL  - England
TA  - J Mol Recognit
JT  - Journal of molecular recognition : JMR
JID - 9004580
RN  - 0 (Epitopes, T-Lymphocyte)
RN  - 0 (HLA Antigens)
RN  - 0 (Histocompatibility Antigens Class II)
RN  - 0 (Peptides)
SB  - IM
MH  - *Dengue
MH  - Epitopes, T-Lymphocyte/chemistry
MH  - HLA Antigens/chemistry
MH  - Histocompatibility Antigens Class II
MH  - Humans
MH  - Molecular Docking Simulation
MH  - Peptides/chemistry
MH  - *Viral Envelope
OTO - NOTNLM
OT  - Flavivirus
OT  - HLA promiscuity
OT  - envelope protein
OT  - epitope prediction
OT  - peptide construct
EDAT- 2022/05/07 06:00
MHDA- 2022/08/13 06:00
CRDT- 2022/05/06 04:33
PHST- 2022/02/01 00:00 [revised]
PHST- 2021/08/03 00:00 [received]
PHST- 2022/05/02 00:00 [accepted]
PHST- 2022/05/07 06:00 [pubmed]
PHST- 2022/08/13 06:00 [medline]
PHST- 2022/05/06 04:33 [entrez]
AID - 10.1002/jmr.2961 [doi]
PST - ppublish
SO  - J Mol Recognit. 2022 Sep;35(9):e2961. doi: 10.1002/jmr.2961. Epub 2022 May 20.