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

• Published in: PloS one Vol. 15; no. 12; p. e0239112
• Main Authors: Do, Phuc-Chau, Nguyen, Trung H, Vo, Uyen H M, Le, Ly
• Format: Journal Article
• Language: English
• Published: United States Public Library of Science 31.12.2020; Public Library of Science (PLoS)
• Subjects: Amino Acid Sequence; Antibodies; Antibodies, Viral - chemistry; Antibodies, Viral - genetics; Antigen-antibody reactions; Antigens; Antigens, Viral - chemistry; Antigens, Viral - genetics; Antigens, Viral - immunology; Binding Sites; Bioinformatics; Biology and life sciences; Biotechnology; Computational biology; Computer applications; Computer Simulation; Design; Disease; Drug Design; Epidemics; Fatalities; Health aspects; 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; Influenza A; Influenza A Virus, H1N1 Subtype - immunology; Influenza vaccines; Influenza Vaccines - administration & dosage; Influenza Vaccines - biosynthesis; Influenza, Human - immunology; Influenza, Human - prevention & control; Influenza, Human - virology; Ligands; Light; Medical research; Medicine and health sciences; Methods; Molecular Docking Simulation; Nguyen, Uyen; Pandemics; Pharmaceutical research; Protein Binding; Protein Conformation, alpha-Helical; Protein Conformation, beta-Strand; Protein Interaction Domains and Motifs; Proteins; Research and Analysis Methods; Respiratory diseases; Sequence Alignment; Sequence Homology, Amino Acid; Software; Swine flu; Thermodynamics; Vaccines; Viruses; Vietnam
• ISSN: 1932-6203; 1932-6203
• DOI: 10.1371/journal.pone.0239112

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.