This work presents a study of intermolecular interactions using the model of the antigen antibody interactions of the ABO system. Absence of knowledge in the field of the ABO antigen's behavior as a biomolecule and the integration of these structures into cascade of metabolic and physiological processes create the conditions, which promote a successful using this new model in the future. Molecular recognition and designing are included into the main catalog of computer methods of research, which is called "in silico". Using PASS system, we describe the possible biological effects of pyruvate, lactate, antigen determinants A and B. Pharmacological effects and molecular mechanisms of influence on activity of the factors regulating inside and intercellular interactions are predicted for such minor components as pyruvate and lactate. Due to variety of the biological effects, glycoproteins A and B are very perspective to study as biological active connections. The obtained knowledge proves that AB0 antigens, as well as other glycoprotein conjugates are important mediators of intercellular adhesion and participants of signal transmission. Using ABO blood group system as a model helped to describe individual differences of parameters-degree and time of the agglutination beginning of antigen/antibody blood types of the AB0-are revealed.
Using the ABO antibody-antigen model the influence of natural metabolite pyruvate on the antibody interaction with of erythrocyte antigens, defining their group specificity has been investigated. Before agglutination reaction erythrocytes of A(II)-AB(IV) blood groups, monoclonal anti-A and anti-B antibodies were incubated with sodium pyruvate. Visualization of agglutinates was performed by means of flow cytometry and laser scanning confocal microscopy. Computer-aided prediction of the spectrum of biological activity of pyruvate by a PASS program proposed major regulatory pathways, in which pyruvate may be involved. It has been demonstrated that pyruvate can regulate the intensity of antigen-antibody interaction. These results suggest the possibility of using small molecules, for example pyruvate, as molecular probes and prospects of the use of erythrocytes with antigenic determinants of the ABO system expressed on their membranes for studies of protein-protein interactions due to convenient visualization and possibility of quantitative evaluation of this process.
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