Immobilization and unbinding investigation of the antigen-antibody complex using theoretical and experimental techniques

Binding characteristics of staphylococcal protein A and streptococcal protein G for fragment crystallizable portion of human immunoglobulin G

“…Although the protein–protein interface residues in the IgG–spA complex contain amino acid residues not only of spA but also the IgG Fc portion, they have a smaller and more stable RMSD value than all of the spA residues (1.00 ± 0.12 Å). Furthermore, the RMSD values that are less than 2.0 Å are known to be extremely meaningful for evaluating crystalline docking pose quality [35] , [63] , [68] . These results imply that the interface site of each complex considerably contributes to stability and tight binding.…”

“…However, there have been no in-depth studies on IgG-spA/spG complexes, even though they are the most prevalent combination in affinity chromatography. This is because most of the few direct and quantitative measurement studies on protein binding have been primarily focused on monomeric ligand complexes (e.g., linear short peptide with a small amount of residue rather than multimeric complexes) [33] , [34] , [35] , [36] , [37] . Moreover, the studies on larger ligands have been hampered by the inconvenience of modeling many rotatable bonds in flexible peptides and obtaining accurate high-resolution models of binding interfaces [38] .…”

Fluid Flow Dependency in Immunoselective Cell Capture via Liquid Biopsy

“…These values were supported by other groups who followed a similar approach using different antibody−antigen couples, 37,38 though the accuracy of the method has been challenged. 39 Two decades later, molecular dynamics simulation conducted by Oliviera et al estimated the binding strength between IgG antibody and phenobarbital to be around 600 pN, 40 while force spectroscopy measurements estimated the bond between liposaccharides and their corresponding monoclonal antibody to be between 100 and 120 pN. 41 Based on these studies, and while the specific binding force between the human EpCAM protein and the polyclonal anti-EpCAM antibody used here has not been reported in the literature, one can assume that the individual bond strength would range somewhere between 50 and 600 pN per binding site.…”

Modelar Molecular das interações do complexo NS1/anti-NS1 para aplicação no diagnóstico diferencial de Flaviroses

“…Estudos similares ao deste trabalho já foram proposto para doenças autoimunes e neurodegenerativas (IERICH et al, 2019a;OLIVEIRA et al, 2019) e analitos de interesse na área ambiental (AMARANTE et al, 2014;BUENO et al, 2014;DEDA et al, 2013;FERREIRA;FRANCA;LEITE, 2017;FRANCA et al, 2011;GUERRA et al, 2019;IERICH et al, 2015a;OLIVEIRA et al, 2013 O protocolo testado baseia a seleção da conformação mais representativa do complexo NS1-anti-NS1 (interação específica), predita por webserver de Docking Molecular proteínaproteína, na concordância entre os valores de entalpia de formação e resíduos localizados na interaface de interação pertencentes a epítopos determinados por estudos prévios da literatura.…”