1. Russian-American Anti-Cancer Center, Altai State University, Barnaul, Russia 2. Research institute of Biological Medicine, Altai State University, Barnaul, Russia 3. National Research Tomsk Polytechnic University, Tomsk, Russia 4. Russian-American Anti-Cancer Center, Altai State University, Barnaul, Russia; Center for Innovations in Medicine, Biodesign Institute, Arizona State University, Tempe, USA
Current advances in research of immune checkpoints CTLA-4, PD-1, PD-L1, opened new possibilities for effective cancer immunotherapy using monoclonal antibodies. However, antibodies have a number of limitations for clinical use, which provides a basis for the search for low molecular weight compounds capable of regulating (blocking) molecules that inhibit the immune response. This paper presents the results of molecular docking and evaluation of synthetic peptide interaction with a CTLA-4 molecule. Using mathematical modeling, it was shown that peptides interacted with the 99MYPPPY104 loop of the CTLA-4 protein and could potentially block the interaction of the CTLA-4 receptor with its natural ligand B7-1. The specificity of the interaction between the identified peptide and recombinant chimeric CTLA-4 protein was evaluated. The detected synthetic peptide can be used for the development of immunomodulatory drugs for therapy of cancer or autoimmune diseases.
Podlesnykh S.V., Lampatov V.V., Khlebnikov A.I., Chapoval A.I. (2020) Molecular docking study and experimental evaluation of potential CTLA-4 binding peptides. Biomeditsinskaya Khimiya, 66(2), 156-161.
Podlesnykh S.V. et al. Molecular docking study and experimental evaluation of potential CTLA-4 binding peptides // Biomeditsinskaya Khimiya. - 2020. - V. 66. -N 2. - P. 156-161.
Podlesnykh S.V. et al., "Molecular docking study and experimental evaluation of potential CTLA-4 binding peptides." Biomeditsinskaya Khimiya 66.2 (2020): 156-161.
Podlesnykh, S. V., Lampatov, V. V., Khlebnikov, A. I., Chapoval, A. I. (2020). Molecular docking study and experimental evaluation of potential CTLA-4 binding peptides. Biomeditsinskaya Khimiya, 66(2), 156-161.
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