Thesis

Immunoinformatics Study of the Multi-epitope Mapping to n Formulate Peptide-based Vaccine Candidate Against Monkeypox Virus (MPXV) Presented by HLA Alleles of South East Asian Population

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"Monkeypox (MPXV) is a zoonotic disease caused by infection with the monkeypox virus
(Poxviridae family) which was first identified in Democratic Republic of Congo. World Health
Organization (WHO) has received increasing reports of monkeypox (Mpox) cases worldwide, and the
mortality rate is 3-6%. Until now, fully effective & specific treatment for monkeypox virus infection is
still absent. Meanwhile, the smallpox vaccine is still able to tackle monkeypox virus. Researchers still
have developed the monkeypox vaccine with high efficacy, and effective against the infection. In this
study, a multi-epitope-based (B cell and T cell) vaccine for monkeypox from South East Asia (Indonesia,
Singapore, Thailand, Vietnam, and Philippines) will be discovered to design the epitope-based peptide
vaccination against the monkeypox, and also the interaction of host cell receptor and the vaccine will
be assessed using molecular docking and dynamics simulation, and the immune simulation for the
further validation to determine the efficacy. The data that will be used for vaccine design will be
collected from the GISAID EpiPox database and NCBI database, then the phylogenetic tree will be
analyzed, B & T cell epitopes predicted, and predict the multi-epitope using linkers. Then, the
antigenicity and allergenicity will be analyzed, and molecular docking and dynamics simulation will be
performed. This study will be done using the immunoinformatics approaches along with the
bioinformatics software which helps in designing and predicting the multi-epitope peptide-based
vaccine and will be docked with TLR3 and TLR4 protein. The results indicate that 423 aa of vaccine
construct’s length was obtained which contains B cell, CTL, and HTL epitopes. All of the epitopes have
been examined, and have a positive immunogenicity and IFN-γ, more than 0.4 for antigenicity, 100%
conservancy, no allergenicity and toxicity, and no homologous with human proteome. The vaccine
construct also has been predicted for the population coverage, it indicates that it covered 99.98% of
South East Asian populations. Molecular docking, dynamics, and immune simulation have been
employed to validate the vaccine construct, it denotes that the potential vaccine construct is safe to
be used, and has a high efficacy based on these predictions. Incomplete of target populations in South
East Asia is the limitation of the drawback of this study. It is still not enough until the in-silico stage,
but the potential vaccine construct needs to be tested in the wet lab, along with clinical trials for
further validation of whether the vaccine construct is safe to use, and has a high efficacy before the
vaccine is commercialized to the public.
"

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Availability

Detail Information

Series Title

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Call Number

BI 23-006

Publisher

i3L, Jakarta : i3L, Jakarta., 2023

Collation

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Language

English

ISBN/ISSN

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Classification

NONE

Content Type

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Media Type

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Carrier Type

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Edition

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Subject(s)

immunoinformatics
Monkeypox
South East Asia
multi-epitope vaccine
B cell
CTL
HTL

Specific Detail Info

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Statement of Responsibility

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