Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface

Abstract

Abstract:Having a theoretical understanding of the orientation of immunoglobulin on an immobilized solid surface is important in biomedical pathogen-detecting systems and cellular analysis. Despite the stable adsorption of immunoglobulin on a polystyrene (PS) surface that has been applied in many kinds of immunoassays, there are many uncertainties in antibodybased clinical and biological experimental methods. To understand the binding mechanism and physicochemical interactions between immunoglobulin and the PS surface at the atomic level, we investigated the binding behavior and interactions of the monoclonal immunoglobulin G (IgG) on the PS surface using the computational method. In our docking simulation with the different arrangement of translational and rotational orientation of IgG onto the PS surface, three typical orientation patterns of the immunoglobulin G on the PS surface were found. We precisely analyzed these orientation patterns and clarified how the immunoglobulin G interacts with the PS surface at atomic scale in the beginning of the adsorption process. Major driving forces for the adsorption of IgG onto the PS surface come from serine (Ser), aspartic acid (Asp), and glutamic acid (Glu) residues.

Recent Solid-State NMR Studies of Membrane-Bound Peptides and Proteins

“…As the methyl protons of the ECL-II residues Val10 and Ile13 are located above the aromatic ring of DynA17 residue Trp14, they should interact in a CH/π manner. Similar interactions have been described for many biological systems [261]. Solidstate NMR experiments revealed that ECL-II also exhibits an α-helical structure in the region between Val10 and Ala15.…”

Synergistic effect of lignin incorporation into polystyrene for producing sustainable superadsorbent

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An Optical Microfiber Biosensor for CEACAM5 Detection in Serum: Sensitization by a Nanosphere Interface

“…21 Additionally, it was easier to immobilize the antibodies on the PS nanosphere surface than on the silica fiber surface. 29 (The delocalized π-electrons in the aromatic ring of PS surface 34 interacted with the electrons of aldehyde groups of glutaraldehyde, making the glutaraldehyde distribute on its surface evenly and closely. This led to an easier and more uniform binding of antibody on the PS surface.…”