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

Authors

Viol Dhea Kharisma, Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya 60115, Indonesia
Farida Aryani Dian, Department of Biochemistry and Biotechnology, Faculty of Agronomy, Horticulture and Bioengineering, Poznań University of Life Sciences, Poznań 60-637, Poland
Pavel Burkov, Biotechnology Science Center, South-Urals State Agrarian University, Troitsk 457100, Russian Federation
Pavel Scherbakov, Department of Infectious Diseases, South-Urals State Agrarian University, Troitsk 457100, Russian Federation
Marina Derkho, Department of Natural Sciences, South-Urals State Agrarian University, Troitsk 457100, Russian Federation
Ekaterina Sepiashvili, Department of Scientific Research, K. G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow 141701, Russian Federation
Teguh Hari Sucipto, Dengue Study Group, Institute of Tropical Disease, Universitas Airlangga, Surabaya 60115, Indonesia
Arli Aditya Parikesit, Department of Bioinformatics, School of Life Sciences, Indonesia International Institute for Life Sciences, Jakarta 032016, Indonesia
Ahmad Affan Ali Murtadlo, Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya 60115, Indonesia
Vikash Jakhmola, Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun 248007, India
Rahadian Zainul, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang 25173, IndonesiaFollow

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

Recommended Citation

Kharisma, Viol Dhea; Dian, Farida Aryani; Burkov, Pavel; Scherbakov, Pavel; Derkho, Marina; Sepiashvili, Ekaterina; Sucipto, Teguh Hari; Parikesit, Arli Aditya; Murtadlo, Ahmad Affan Ali; Jakhmola, Vikash; and Zainul, Rahadian (2023) "Molecular Simulation of B-Cell Epitope Mapping from Nipah Virus Attachment Protein to Construct Peptide-Based Vaccine Candidate: A Reverse Vaccinology Approach," Makara Journal of Science: Vol. 27: Iss. 2, Article 4.
DOI: 10.7454/mss.v27i2.1316
Available at: https://scholarhub.ui.ac.id/science/vol27/iss2/4