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ABO Blood Group Antigens as a Model of Studying Protein-Protein Interactions
Ch. 5. P. 63–77.
This work presents a research of intermolecular interactions on the example of the antigen antibody interactions of the ABO system. This model could be successfully used in the future due to the lack of knowledge in the area of the ABO antigen’s behavior as a biomolecule and the integration of these structures into chain of metabolic processes in a human being. Using computer PASS system (“in silico” research), we describe the possible biological effects of pyruvate, lactate, and antigen determinants A and B. Glycoproteins A and B are very perspective to study as biological active connectors due to the wide range of their biological effects. The obtained knowledge proves that ABO antigen, as well as other glycoprotein conjugates, could play an important role in intercellular adhesion and signal transmission, which could be used in perspective in personalized medicine, target therapy, and evaluation of lab results in clinical practice.
Dudarova N., Kosenko I., Varvara E. Maltseva et al., Journal of Cluster Science 2025 Vol. 36 No. 5 Article 161
The conformational mobility of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− anion, which has been chosen as a model compound for many potential drugs based on cobalt bis(dicarbollide), was studied by 1H NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. According to the results of quantum chemical calculations, the most favourable conformation for [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− is the transoid conformation, which is stabilized by one ...
Added: May 13, 2026
Dudarova N., Kosenko I., Varvara E. Maltseva et al., Journal of Cluster Science 2025 Vol. 36 No. 5 Article 161
The conformational mobility of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− anion, which has been chosen as a model compound for many potential drugs based on cobalt bis(dicarbollide), was studied by 1H NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. According to the results of quantum chemical calculations, the most favourable conformation for [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− is the transoid conformation, which is stabilized by one ...
Added: February 10, 2026
David Arteaga, Poptsova M., Computational and Structural Biotechnology Journal 2026 Vol. 31 P. 82–93
Accurate predictions and large-scale identification of protein-protein interactions (PPIs) are crucial for understanding their inherent biological mechanisms and protein functions in virtually all biological processes. Nowadays, graph-based deep learning models have made significant contributions in modeling proteins with physicochemical and geometric features. However, most of these models rely on conventional graph construction methods, such as ...
Added: December 22, 2025
Хасанова У. Н., Грибкова А. К., Романова Т. А. et al., Биофизика 2025 Т. 70 № 5 С. 837–853
oneering transcription factors from the Yamanaka cocktail carry out cell reprogramming. These proteins bind to heterochromatin, promote its discovery, and attract proteins to alter the epigenetic landscape and activate transcription. However, there is no information in the literature about which chromatin proteins are attracted through direct protein-protein interactions with pioneer transcription factors. In this paper, ...
Added: December 5, 2025
Курмаз С. В., Комендант Р. И., Перепелицина Е. О. et al., International Journal of Molecular Sciences 2024 Vol. 25 No. 15 Article 8422
The terpolymers of N-vinylpyrrolidone (VP) with acrylic acid and triethylene glycol methacrylate were synthesized with more than 90% yield by radical copolymerization in ethanol from monomeric mixtures of different molar composition (98:2:2, 95:5: 2 and 98:2:5) and their monomer composition, absolute molecular masses and hydrodynamic radii in aqueous media were determined. Using the MTT test, ...
Added: September 14, 2025
Konshina A., Bocharov E., Konovalova E. et al., International Journal of Molecular Sciences (Швейцария) 2024 Vol. 25 No. 21 Article 11370
Non-immunoglobulin-based scaffold proteins (SPs) represent one of the key therapeutic
target-specific and high-affinity binders in modern medicine. Among their cellular targets are signaling
receptors, in particular, receptor tyrosine kinases, whose dysfunction leads to the development
of cancer and other serious diseases. Successful applications of SPs have been reported for
HER receptor type 2 (HER2), a member of the human ...
Added: December 9, 2024
Полянский А. А., Efremov R., Биологические мембраны 2024 Т. 41 № 4 С. 403–421
The paper overviews the results of computational studies of the molecular mechanisms underlying
the adaptation of model cell membranes taking place during their interaction with proteins and peptides. We
discuss changes in the structural and dynamic parameters of the water–lipid environment, the hydrophobic/
hydrophilic organization of the lipid bilayer surface (the so-called “mosaicity”), etc. Taken together,
these effects are ...
Added: September 19, 2024
Goryacheva E., Efremov R., Krylov N. et al., International Journal of Molecular Sciences 2023 Vol. 24 No. 7 Article 6403
The rapid development of new microscopy techniques for cell biology has exposed the
need for genetically encoded fluorescent tags with special properties. Fluorescent biomarkers of the
same color and spectral range and different fluorescent lifetimes (FLs) became useful for fluorescent
lifetime image microscopy (FLIM). One such tag, the green fluorescent protein BrUSLEE (Bright
Ultimately Short Lifetime Enhanced Emitter), having ...
Added: May 19, 2023
Lohan S., Konshina A. G., Efremov R. et al., Journal of Medicinal Chemistry 2023 Vol. 66 No. 1 P. 855–874
A series of small (7- to 12-mer) amphipathic cationic peptides were designed and synthesized with the ultimate goal of creating a set of short helical peptides with broad-range bactericidal activity and good selectivity toward the bacterial cells. Activity analysis identified a lead 12-mer peptide 8b with broad spectrum activity against Gram-positive (MIC=3.1-6.2 µg/mL) and Gram-negative ...
Added: February 21, 2023
Panina I., Krylov N., Chugunov A. et al., International Journal of Molecular Sciences 2022 Vol. 23 Article 14791
S-acylation is a post-translational linkage of long chain fatty acids to cysteines, playing a key role in normal physiology and disease. In human cells, the reaction is catalyzed by a family of 23 membrane DHHC-acyltransferases (carrying an Asp-His-His-Cys catalytic motif) in two stages: (1) acyl-CoA-mediated autoacylation of the enzyme; and (2) further transfer of the ...
Added: December 9, 2022
Абрамешин Д.А., Пожидаев Е.Д., Саенко В.С. et al., Известия вузов. Электроника. РФ 2022 Т. 27 № 5 С. 635–644
The electrons of the cosmic plasma act on spacecraft, causing the electrification of their dielectric materials. The result of the accumulation of charge is the occurrence of electrostatic discharges leading to failures in the operation of on-board radio electronics, and this phenomenon significantly reduces the duration of the active existence of spacecraft. One of the ...
Added: November 2, 2022
NY: Association for Computing Machinery (ACM), 2022.
On behalf of the Conference Committee, we welcome you to the 8th International Conference on Computer Technology Applications (ICCTA 2022). It is organized by FH JOANNEUM, one of the leading universities of applied sciences in Austria. After a long break, caused by the COVID-19 pandemic, the conference is held in presence, in the beautiful city ...
Added: September 26, 2022
Rodriges Zalipynis R. A., PROCEEDINGS OF THE VLDB ENDOWMENT 2022 Vol. 15 No. 12 P. 3742–3745
Array DBMSs operate on big N-d arrays. Cellular automata (CA) work on a discrete lattice of cells, essentially on N-d arrays. CA facilitate decision support as they realistically simulate complex phenomena including road traffic, fire spread, and urban growth. Array DBMSs can bring numerous benefits to the CA domain via a ``database approach'': powerful parallelization, ...
Added: August 30, 2022
Y. N. Kofanov, V. M. N., N. E. K. et al., , in: Proceedings of 2022 IEEE Moscow Workshop on Electronic and Networking Technologies (MWENT).: M.: IEEE, 2022. P. 1–6.
he method of research and evaluation of fault tolerance of the navigation system of a passenger aircraft is described. The system should have a very high reliability, provided under the influence of such external factors as factors of electromagnetic, thermal and mechanical nature. The method uses structural reconfiguration aimed at increasing reliability by increasing fault tolerance, when ...
Added: July 7, 2022
D. Abrameshin, S. Tumkovskiy, V. Saenko et al., , in: Proceedings of 2022 IEEE Moscow Workshop on Electronic and Networking Technologies (MWENT).: M.: IEEE, 2022. P. 1–4.
Added: July 5, 2022
Kuznetsov N., Kofanov Y. N., , in: Proceedings of the 2021 IEEE International Conference "Quality Management, Transport and Information Security, Information Technologies" (IT&QM&IS).: IEEE, 2021. P. 443–447.
Taking into account the functional and design features of optoelectronic devices, this paper proposes to divide the process of developing their thermal macromodels into several stages related to the idealization of the design and the purpose of isothermal volumes. The authors also considered the principle of transition to topological thermal models of structural elements of an ...
Added: January 4, 2022
Efremov R., Albrecht C., Appert-Collin A. et al., Frontiers in Oncology 2020 Vol. 10 P. 519
Cellular functions are regulated by extracellular signals such as hormones,
neurotransmitters, matrix ligands, and other chemical or physical stimuli. Ligand
binding on its transmembrane receptor induced cell signaling and the recruitment of
several interacting partners to the plasma membrane. Nowadays, it is well-established
that the transmembrane domain is not only an anchor of these receptors to the
membrane, but it ...
Added: September 1, 2020
Kuznetsov A., Zamaletdinov M., Bershatsky Y. et al., Biochimica et Biophysica Acta - Biomembranes 2020 Vol. 1862 No. 11 P. 183417
Despite the biological significance of insulin signaling, the molecular mechanisms of activation of the insulin receptor (IR) and other proteins from its family remain elusive. Current hypothesis on signal transduction suggests ligand-triggered structural changes in the extracellular domain followed by transmembrane (TM) domains closure and dimerization leading to trans-autophosphorylation and kinase activity in intracellular segments ...
Added: August 27, 2020
Alferova V., Shuvalov M., Korshun V. A. et al., Russian Chemical Bulletin 2019 Vol. 68 No. 5 P. 955–966
Added: April 24, 2020
Ivashchenko D., Rudik A., Poloznikov A. et al., Drug Metabolism and Personalized Therapy 2018 Vol. 33 No. 2 P. 65–73
Phenazepam (bromdihydrochlorphenylbenzodiazepine) is the original Russian benzodiazepine tranquilizer belonging to 1,4-benzodiazepines. There is still limited knowledge about phenazepam's metabolic liver pathways and other pharmacokinetic features. To determine phenazepam's metabolic pathways, the study was divided into three stages: In silico modeling, in vitro experiment (cell culture study), and in vivo confirmation. In silico modeling was performed ...
Added: April 15, 2020
Bober S. A., Aksenov S. A., В кн.: XII Всероссийский съезд по фундаментальным проблемам теоретической и прикладной механикиТ. 1: Общая и прикладная механика.: Уфа: РИЦ БашГУ, 2019. С. 461–463.
Added: January 23, 2020
Ivannikov A.D., Levchenko N., Romanova I.I., , in: Proceedings of IEEE East-West Design & Test Symposium (EWDTS'2018).: IEEE Computer Society, 2018. Ch. 8524675 P. 1–5.
Digital LSI circuits, and digital blocks in many cases fulfill a succession of operation from limited collection. In this paper computer modeling of LSI logical circuits represents logical signals on the pins. For a computer-aided design it is very important to develop the collection of tests for digital LSI circuits for proving the successfulness of design. The most productive and economical test ...
Added: November 15, 2019