20.07.2023
Rational design and pharmacophysiological study of new high-affinity selective agonists and antagonists of muscarinic acetylcholine receptors of M2 and M3 subtypes
Muscarinic acetylcholine receptors are transmembrane receptors providing several important physiological functions, including the regulation of heart rate, basal tension and smooth muscle motility of the respiratory tract, digestive tract and urogenital system. The research group of the Department of Molecular Biotechnology and Bioinformatics carries out a full cycle of targeted search and development using bioinformatics and chemoinformatics methods, as well as research and analysis of the biological activity of substances – selective agonists and antagonists of certain subtypes of muscarinic acetylcholine receptors. To date, new synthetic high-affinity selective low-molecular-weight antagonists of M3 subtype muscarinic acetylcholine receptors and agonists of M2 subtype receptors have been developed. The findings are important for the development of new medicines to treat pathologies of the cardiovascular system, respiratory tract and gastrointestinal tract.
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Publication:
1. Alex Nyporko, Olga Tsymbalyuk, Ivan Voiteshenko, Sergiy Starosyla, Mykola Protopopov, Volodymyr Bdzhola (2023) Computer-aided design of muscarinic acetylcholine receptor m3 inhibitors: promising compounds among trifluoromethyl containing hexahydropyrimidinones/thiones // Molecular Informatics Accepted Article. https://doi.org/10.1002/minf.202300006
Contact: Head of department Alex Nyporko (a_nyporko@knu.ua),
Prof. Olga Tsymbalyuk (otsymbal@knu.ua),
Assoc. Prof. Ivan Voiteshenko (isvoiteshenko@knu.ua)
Projects: The grant of the National Research Fund of Ukraine “Rational design of muscarinic acetylcholine receptor inhibitors as potential complexes of combined therapy of COPD and asthma” (2020-2021)
The grant of the Ministry of Education and Science of Ukraine “Rational design of muscarinic acetylcholine receptor type 2 activators as potential components of acute myocardial infarction and wound therapy” (2023-2025).