PMID- 34358213
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20210809
IS  - 2076-393X (Print)
IS  - 2076-393X (Electronic)
IS  - 2076-393X (Linking)
VI  - 9
IP  - 7
DP  - 2021 Jul 17
TI  - Bioinformatics Prediction of SARS-CoV-2 Epitopes as Vaccine Candidates for the 
      Colombian Population.
LID - 10.3390/vaccines9070797 [doi]
LID - 797
AB  - Coronavirus disease (COVID-19) pandemic caused by the coronavirus SARS-CoV-2 
      represents an enormous challenge to global public health, with thousands of 
      infections and deaths in over 200 countries worldwide. The purpose of this study 
      was to identify SARS-CoV-2 epitopes with potential to interact in silico with the 
      alleles of the human leukocyte antigen class I (HLA I) and class II (HLA II) 
      commonly found in the Colombian population to promote both CD4 and CD8 immune 
      responses against this virus. The generation and evaluation of the peptides in 
      terms of HLA I and HLA II binding, immune response, toxicity and allergenicity 
      were performed by using computer-aided tools, such as NetMHCpan 4.1, NetMHCIIpan 
      4.0, VaxiJem, ToxinPred and AllerTop. Furthermore, the interaction between the 
      predicted epitopes with HLA I and HLA II proteins frequently found in the 
      Colombian population was studied through molecular docking simulations in 
      AutoDock Vina and interaction analysis in LigPlot+. One of the promising peptides 
      proposed in this study is the HLA I epitope YQPYRVVVL, which displayed an 
      estimated coverage of over 82% and 96% for the Colombian and worldwide 
      population, respectively. These findings could be useful for the design of new 
      epitope-vaccines that include Colombia among their population target.
FAU - Montes-Grajales, Diana
AU  - Montes-Grajales D
AD  - Environmental and Computational Chemistry Group, School of Pharmaceutical 
      Sciences, Zaragocilla Campus, University of Cartagena, Cartagena 130015, 
      Colombia.
FAU - Olivero-Verbel, Jesus
AU  - Olivero-Verbel J
AUID- ORCID: 0000-0003-3089-5872
AD  - Environmental and Computational Chemistry Group, School of Pharmaceutical 
      Sciences, Zaragocilla Campus, University of Cartagena, Cartagena 130015, 
      Colombia.
LA  - eng
GR  - 202000010009/SGR 202000010009, Minciencias Colombia/
PT  - Journal Article
DEP - 20210717
PL  - Switzerland
TA  - Vaccines (Basel)
JT  - Vaccines
JID - 101629355
PMC - PMC8310250
OTO - NOTNLM
OT  - HLA
OT  - T-cell epitope
OT  - immuno-informatics
OT  - immunogenicity
OT  - interaction
OT  - peptide
OT  - severe acute respiratory syndrome
OT  - vaccine design
COIS- The authors declare no conflict of interest.
EDAT- 2021/08/07 06:00
MHDA- 2021/08/07 06:01
PMCR- 2021/07/17
CRDT- 2021/08/06 17:18
PHST- 2021/05/14 00:00 [received]
PHST- 2021/07/10 00:00 [revised]
PHST- 2021/07/13 00:00 [accepted]
PHST- 2021/08/06 17:18 [entrez]
PHST- 2021/08/07 06:00 [pubmed]
PHST- 2021/08/07 06:01 [medline]
PHST- 2021/07/17 00:00 [pmc-release]
AID - vaccines9070797 [pii]
AID - vaccines-09-00797 [pii]
AID - 10.3390/vaccines9070797 [doi]
PST - epublish
SO  - Vaccines (Basel). 2021 Jul 17;9(7):797. doi: 10.3390/vaccines9070797.