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0223U005451,
0123U101862
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Creation of modern calixarene regulators of biochemical processes for medicine and biotechnology. Chapter 3. Search, design and establishment of properties of new potentially bioactive calixarene derivatives aimed at therapeutically important protein targets
Vovk Andrii I., Доктор хімічних наук
22-12-2023
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine
Computer modeling of calix[4]arene methylenebisphosphonate and calix[4]arene α-hydroxymethylenebisphosphonate complexes with therapeutically important enzymes was carried out and the effect of macrocyclic compounds on some potential targets in vitro was investigated. The specifics of the inhibitory action of calix[4]arene methylenebisphosphonic acids on the activity of protein tyrosine phosphatases PTR1B, TS-PTR, MEG1, MEG2, SHP-2, VE-PTP, and PRL3 were established. Amphiphilic anionic calix[4]arene methylenebisphosphonic and calix[4]arene α-hydroxymethylenebisphosphonic acids were evaluated as potential inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1, glutathione S-transferase, and α-glucosidase. Based on the obtained kinetic data and the results of computer modeling, the relationship between the structure and in vitro activity of macrocyclic derivatives of phosphonic acids was established, and the possible enzyme inhibition mechanisms were substantiated. The influence of calix[4]arene methylenebisphosphonic and calix[4]arene α-hydroxymethylenebisphosphonic acids on the activity of α-glucosidase was investigated for the first time. The obtained results can be used in further studies of macrocyclic derivatives of phosphonic acids as potential and selective inhibitors of therapeutically important enzymes.
Buldenko Vladyslav M.
Kobzar Oleksandr L.
Yrij V. Shulga
2023-12-22
Updated: 2025-12-07
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