Molecular Simulation of B-Cell Epitope Mapping from Nipah Virus Attachment Protein to Construct Peptide-Based Vaccine Candidate: A Reverse Vaccinology Approach

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Viol Dhea Kharisma, Farida Aryani Dian, Pavel Burkov, Pavel Scherbakov, Marina Derkho, Ekaterina Sepiashvili, Teguh Hari Sucipto, Arli Aditya Parikesit, Ahmad Affan Ali Murtadlo, Vikash Jakhmola, Rahadian Zainul

2023 Makara Journal of Science Vol. 27 Issue 2 Article Cited by 1 Quartile

Abstract

There are no specific drugs or vaccines for Nipah virus (NiV), which is a new Paramyxovirus that infects swine and humans. This study was conducted to investigate B-cell epitope mapping of the NiV attachment glycoprotein and to construct peptide-based vaccine candidates using the reverse vaccinology approach. To generate the linear B-cell epitope, the NiV isolates were extractad from GenBank, NCBI, using the IEDB web server; peptide modeling was conducted using PEP-FOLD3; docking was conducted using PatchDock and FireDock; and in silico cloning was designed using SnapGene. Various peptides were successfully identified from the NiV attachment glycoprotein based on B-cell epitope prediction, allergenicity prediction, similarity prediction, and toxicity prediction. An in silico cloning design of the pET plasmic was also developed. The peptide “RFENTTSDKGKIPSKVIKSYYGTMDIKKINEGLLD” (1G peptide) is predicted to be a potential candidate for the NiV vaccine as it has several good vaccine characteristics. It increases the immune response of B cells through activation, differentiation into plasma cells, the formation of memory cells, and it may increase IgM/IgG antibody titres for viral neutralization. However, the results of this study should be further verified through in vivo and in vitro analyses. © 2023, Universitas Indonesia. All rights reserved.

Affiliations

Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya, 60115, Indonesia; Computational Virology Research Unit, Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, 61171, Indonesia; Department of Biochemistry and Biotechnology, Faculty of Agronomy, Horticulture and Bioengineering, Poznań University of Life Sciences, Poznań, 60-637, Poland; Biotechnology Science Center, South-Urals State Agrarian University, Troitsk, 457100, Russian Federation; Department of Infectious Diseases, South-Urals State Agrarian University, Troitsk, 457100, Russian Federation; Department of Natural Sciences, South-Urals State Agrarian University, Troitsk, 457100, Russian Federation; Department of Scientific Research, K. G. Razumovsky Moscow State University of Technologies and Management, (The First Cossack University), Moscow, 141701, Russian Federation; Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya, 60115, Indonesia; Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta, 032016, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, 248007, India; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, 25173, Indonesia