Chemical Insight Into the Influenza A Virus Hemagglutinin Binding to the Sialoside Revealed by the Fragment Molecular Orbital Method
نویسنده
چکیده
The present mini-review aims first at an introduction to two thermodynamic essentials of the binding between the influenza A virus hemagglutinin (HA) and the cell surface receptor sialoside, (1) the equilibrium 1:1 binding of the HA with the sialoside, (2) the polyvalent effect of the HA binding to the polyvalent sialoside. Second, the review introduces the fragment molecular orbital (FMO) studies of the HA-sialoside (1:1) complexes. The recent FMO method with the polarizable continuum model as one of the residue-based energy analysis method has revealed the role of key amino acid residue on the selective HA subtype H3 binding to the sialosides.
منابع مشابه
Ab initio base fragment molecular orbital studies of influenza viral hemagglutinin HA1 full-domains in complex with sialoside receptors
Mutations in avian influenza A viral hemagglutinin HA1 domain may alter the binding specificity of HA for alpha-sialosaccharide receptors, shifting the virus's host range from birds to humans. The amino acid mutations can occur at the sialoside binding site, as well as the antigenic site, far from the binding site. Thus, a theoretical study involving the in silico prediction of HA-sialosacchari...
متن کاملBacillus subtilis as a Host for Recombinant Hemagglutinin Production of the Influenza A (H5N1) Virus
Abstract Background and Aims: Influenza A(H5N1) viruses circulating in animals might evolve and acquire the ability to spread from human to human and thus start a pandemic. Hemagglutinin (HA) has been shown to play a major role in binding of influenza virus to its target cell and the main neutralizing antibody responses elicit against this region. Recent studies have shown that...
متن کاملDesigning of A Multi-epitope Recombinant Protein, Consisting of Several Conserved Epitopes from Hemagglutinin Protein of the H1N1 and H5N1 Strains of Influenza Virus by Immunoinformatics Approaches
Introduction: According to marked advances in bioinformatics studies, development of influenza vaccines has been greatly modified in many studies. In this study, we have designed a multi-epitope recombinant protein, consisting of several conserved epitopes from Hemagglutinin protein of the H1N1 and H5N1 strains of Influenza virus by immunoinformatics approaches. Materials and Methods: The regis...
متن کاملConstruction of a recombinant bacmid DNA containing influenza A virus hemagglutinin gene using a site-specific transposition mechanism
Introduction: In recent years, influenza viruses have caused moderate to severe infections all around the world while so far there is no influenza vaccine that can protect people with only one dose of injection. In this regard, producing a universal vaccine based on virus-like-particles (VLP) could be an ideal approach. Methods: In this study, the full-length ORF of influenza hemagglutini...
متن کاملTheoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method
The hemagglutinin (HA) protein of the influenza virus binds to the host cell receptor in the early stage of viral infection. A change in binding specificity from avian 2-3 to human 2-6 receptor is essential for optimal human-to-human transmission and pandemics. Therefore, it is important to reveal the key factors governing the binding affinity of HA-receptor complex at the molecular level for t...
متن کامل