In Silico Analysis of Epitope-Based Vaccine Candidates against Hepatitis B Virus Polymerase Protein

Viruses
Juzeng ZhengJinming Wu

Abstract

Hepatitis B virus (HBV) infection has persisted as a major public health problem due to the lack of an effective treatment for those chronically infected. Therapeutic vaccination holds promise, and targeting HBV polymerase is pivotal for viral eradication. In this research, a computational approach was employed to predict suitable HBV polymerase targeting multi-peptides for vaccine candidate selection. We then performed in-depth computational analysis to evaluate the predicted epitopes' immunogenicity, conservation, population coverage, and toxicity. Lastly, molecular docking and MHC-peptide complex stabilization assay were utilized to determine the binding energy and affinity of epitopes to the HLA-A0201 molecule. Criteria-based analysis provided four predicted epitopes, RVTGGVFLV, VSIPWTHKV, YMDDVVLGA and HLYSHPIIL. Assay results indicated the lowest binding energy and high affinity to the HLA-A0201 molecule for epitopes VSIPWTHKV and YMDDVVLGA and epitopes RVTGGVFLV and VSIPWTHKV, respectively. Regions 307 to 320 and 377 to 387 were considered to have the highest probability to be involved in B cell epitopes. The T cell and B cell epitopes identified in this study are promising targets for an epitope-focused, peptide-based H...Continue Reading

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Citations

Nov 13, 2018·Journal of Cellular Biochemistry·Lavanya RavichandranJ Febin Prabhu Dass
Jul 24, 2018·Journal of Biomolecular Structure & Dynamics·Soudabeh SabetianYounes Ghasemi
Apr 17, 2020·Journal of Biomolecular Structure & Dynamics·Maryam EnayatkhaniKhadijeh Ahmadi
Sep 2, 2020·Translational Medicine Communications·Eman A Awadelkareem, Sumaia A Ali
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Oct 26, 2018·Frontiers in Immunology·Gandharva NagpalGajendra P S Raghava
May 22, 2020·International Journal of Peptide Research and Therapeutics·Ehsan RaoufiMonireh Mohsenzadegan
Nov 10, 2020·Pathogens and Global Health·Sunita YadavVikash Kumar Dubey
Jan 20, 2021·Computers in Biology and Medicine·Anjali LathwalGajendra P S Raghava
May 22, 2019·Infectious Disorders Drug Targets·Maharij Haroon JadoonAnum Munir

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Datasets Mentioned

BETA
BAN62840.1
BAS53332.1
BAD91284.1

Methods Mentioned

BETA
flow cytometry
transgenic

Software Mentioned

MHC
NetMHCpan3
NetMHC4
BepiPred
IEDB
NetMHC
Disco Tope
BIMAS
SEPPA
NetCTL

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