A novel approach to design a multiepitope peptide as a vaccine candidate for Bordetella pertussis

被引:1
作者
Basmenj, Esmaeil Roohparvar [1 ]
Izadkhah, Habib [2 ]
Hosseinpour, Maryam [3 ]
Saburi, Ehsan [3 ]
Ezabadi, Marjan Abhaji [4 ]
Alipourfard, Iraj [5 ]
机构
[1] Tarbiat Modares Univ, Fac Biol Sci, Biophys Dept, Tehran, Iran
[2] Univ Tabriz, Fac Math Stat & Comp Sci, Dept Comp Sci, Tabriz, Iran
[3] Mashhad Univ Med Sci, Sch Med, Dept Med Genet & Mol Med, Mashhad, Iran
[4] Univ Tehran, Fac Engn, Dept Chem Engn, Tehran, Iran
[5] Polish Acad Sci, Inst Phys Chem, Warsaw, Poland
关键词
Bordetella pertussis; multiepitope vaccine; immunoinformatics; antigen; immune system; PREDICTION; EPIDEMIOLOGY; PROTEINS; ILLNESS; PROGRAM;
D O I
10.1080/07391102.2023.2278081
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Bordetella pertussis is a very contagious pathogen in humans, causing pertussis disease. Pertussis is one of the 10 leading causes of death due to infectious diseases, especially among infants and children. Antibiotic-resistant strains have recently emerged in this bacterium, and despite the high vaccination coverage, the prevalence of this disease has been increasing recently in both developed and developing countries. The objective of this study is to introduce a novel in silico vaccine candidate aimed at countering B. pertussis effectively. Differing from other comparable studies, this research employed a computational screening methodology to assess the genome of 'Bordetella pertussis 18323.' The purpose was to identify an innovative antigen for the development of a vaccine against B. pertussis. Notably, our investigation introduces an innovative antigen distinguished by its elevated immunogenicity score. Importantly, this antigen lacks toxicity and allergenicity, making it recognizable to the immune system and thus capable of inducing a robust immune response. In the subsequent phase, our antigen was utilized to identify potential epitopes conducive to the construction of a B. pertussis vaccine. These epitopes, alongside linkers, his-tag and adjuvants, were amalgamated to form the vaccine candidate. Subsequently, a comprehensive evaluation of the vaccine was conducted, encompassing various computational tests such as secondary and tertiary structure analysis, physicochemical examination, and structural analysis involving docking and molecular dynamics simulations. Importantly, our vaccine successfully passed all in silico tests.
引用
收藏
页码:13738 / 13750
页数:13
相关论文
共 45 条
[1]   Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers [J].
Abraham, Mark James ;
Murtola, Teemu ;
Schulz, Roland ;
Páll, Szilárd ;
Smith, Jeremy C. ;
Hess, Berk ;
Lindah, Erik .
SoftwareX, 2015, 1-2 :19-25
[2]   Hfq modulates global protein pattern and stress response in Bordetella pertussis [J].
Alvarez Hayes, Jimena ;
Surmann, Kristin ;
Lamberti, Yanina ;
Depke, Maren ;
Dhople, Vishnu ;
Blanca, Bruno ;
Ruiz, Esperanza ;
Vecerek, Branislav ;
Schmidt, Frank ;
Voelker, Uwe ;
Eugenia Rodriguez, Maria .
JOURNAL OF PROTEOMICS, 2020, 211
[3]   EVOLUTIONARY RELATIONSHIPS IN THE GENUS BORDETELLA [J].
ARICO, B ;
GROSS, R ;
SMIDA, J ;
RAPPUOLI, R .
MOLECULAR MICROBIOLOGY, 1987, 1 (03) :301-308
[4]  
Azmi Fazren, 2014, Hum Vaccin Immunother, V10, P778
[5]   Design of a multi-epitope-based peptide vaccine against the SARS-CoV-2 Omicron variant using bioinformatics approach [J].
Basmenj, Esmaeil Roohparvar ;
Omidvar, Behnoosh ;
Kiumarsy, Armity ;
Izadkhah, Habib ;
Ghiabi, Shamim .
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 42 (15) :7945-7956
[6]   Improved prediction of signal peptides: SignalP 3.0 [J].
Bendtsen, JD ;
Nielsen, H ;
von Heijne, G ;
Brunak, S .
JOURNAL OF MOLECULAR BIOLOGY, 2004, 340 (04) :783-795
[7]   Circulation of pertussis and poor protection against diphtheria among middle-aged adults in 18 European countries [J].
Berbers, Guy ;
van Gageldonk, Pieter ;
van de Kassteele, Jan ;
Wiedermann, Ursula ;
Desombere, Isabelle ;
Dalby, Tine ;
Toubiana, Julie ;
Tsiodras, Sotirios ;
Ferencz, Ildiko Paluska ;
Mullan, Kathryn ;
Griskevicius, Algirdas ;
Kolupajeva, Tatjana ;
Vestrheim, Didrik Frimann ;
Palminha, Paula ;
Popovici, Odette ;
Wehlin, Lena ;
Kastrin, Tamara ;
Mad'arova, Lucia ;
Campbell, Helen ;
Kodmon, Csaba ;
Bacci, Sabrina ;
Barkoff, Alex-Mikael ;
He, Qiushui .
NATURE COMMUNICATIONS, 2021, 12 (01)
[8]   MolProbity: all-atom structure validation for macromolecular crystallography [J].
Chen, Vincent B. ;
Arendall, W. Bryan, III ;
Headd, Jeffrey J. ;
Keedy, Daniel A. ;
Immormino, Robert M. ;
Kapral, Gary J. ;
Murray, Laura W. ;
Richardson, Jane S. ;
Richardson, David C. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2010, 66 :12-21
[9]   IEDB-AR: immune epitope database-analysis resource in 2019 [J].
Dhanda, Sandeep Kumar ;
Mahajan, Swapnil ;
Paul, Sinu ;
Yan, Zhen ;
Kim, Haeuk ;
Jespersen, Martin Closter ;
Jurtz, Vanessa ;
Andreatta, Massimo ;
Greenbaum, Jason A. ;
Marcatili, Paolo ;
Sette, Alessandro ;
Nielsen, Morten ;
Peters, Bjoern .
NUCLEIC ACIDS RESEARCH, 2019, 47 (W1) :W502-W506
[10]   Comparative Omics Analysis of Historic and Recent Isolates of Bordetella pertussis and Effects of Genome Rearrangements on Evolution [J].
Dienstbier, Ana ;
Amman, Fabian ;
Petrackova, Denisa ;
Stipl, Daniel ;
Capek, Jan ;
Zavadilova, Jana ;
Fabianova, Katerina ;
Drzmisek, Jakub ;
Kumar, Dilip ;
Wildung, Mark ;
Pouchnik, Derek ;
Vecerek, Branislav .
EMERGING INFECTIOUS DISEASES, 2021, 27 (01) :57-68