iBRAB: In silico based-designed broad-spectrum Fab against H1N1 influenza A virus

Phuc-Chau Do; Trung H Nguyen; Uyen H M Vo; Ly Le

doi:10.1371/journal.pone.0239112

iBRAB: In silico based-designed broad-spectrum Fab against H1N1 influenza A virus

PLoS One. 2020 Dec 31;15(12):e0239112. doi: 10.1371/journal.pone.0239112. eCollection 2020.

Authors

Phuc-Chau Do^{1

2}, Trung H Nguyen^{1

2}, Uyen H M Vo^{1

2}, Ly Le^{1

2

3}

Affiliations

¹ School of Biotechnology, International University, Thu Duc District, Hochiminh City, Vietnam.
² Vietnam National University Ho Chi Minh City, Thu Duc District, Hochiminh City, Vietnam.
³ Vingroup Big Data Institute, Hai Ba Trung District, Ha Noi, Vietnam.

Abstract

Influenza virus A is a significant agent involved in the outbreak of worldwide epidemics, causing millions of fatalities around the world by respiratory diseases and seasonal illness. Many projects had been conducting to investigate recovered infected patients for therapeutic vaccines that have broad-spectrum activity. With the aid of the computational approach in biology, the designation for a vaccine model is more accessible. We developed an in silico protocol called iBRAB to design a broad-reactive Fab on a wide range of influenza A virus. The Fab model was constructed based on sequences and structures of available broad-spectrum Abs or Fabs against a wide range of H1N1 influenza A virus. As a result, the proposed Fab model followed iBRAB has good binding affinity over 27 selected HA of different strains of H1 influenza A virus, including wild-type and mutated ones. The examination also took by computational tools to fasten the procedure. This protocol could be applied for a fast-designed therapeutic vaccine against different types of threats.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Amino Acid Sequence
Antibodies, Viral / chemistry*
Antibodies, Viral / genetics
Antigens, Viral / chemistry*
Antigens, Viral / genetics
Antigens, Viral / immunology
Binding Sites
Computer Simulation
Drug Design*
Hemagglutinin Glycoproteins, Influenza Virus / chemistry*
Hemagglutinin Glycoproteins, Influenza Virus / genetics
Hemagglutinin Glycoproteins, Influenza Virus / immunology
Humans
Immunoglobulin Fab Fragments / chemistry*
Immunoglobulin Fab Fragments / genetics
Influenza A Virus, H1N1 Subtype / immunology*
Influenza Vaccines / administration & dosage
Influenza Vaccines / biosynthesis
Influenza, Human / immunology
Influenza, Human / prevention & control*
Influenza, Human / virology
Molecular Docking Simulation
Protein Binding
Protein Conformation, alpha-Helical
Protein Conformation, beta-Strand
Protein Interaction Domains and Motifs
Sequence Alignment
Sequence Homology, Amino Acid
Thermodynamics

Substances

Antibodies, Viral
Antigens, Viral
Hemagglutinin Glycoproteins, Influenza Virus
Immunoglobulin Fab Fragments
Influenza Vaccines

Grants and funding

L.L. recieved fund from NAFOSTED no.108.06-2017.332 (The National Foundation for Science and Technology) - https://nafosted.gov.vn/en/. P-C.D. received support from VinIF for the Domestic Master/ PhD Scholarship Programme of Vingroup Innovation Foundation - http://vinif.org/. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.