Sulfonyl-bridged Calix[4]arene as an Inhibitor of Protein Tyrosine Phosphatases

Vladyslav Buldenko; Oleksandr Kobzar; Viacheslav Trush; Andriy Drapailo; Vitaly Kalchenko; Andriy Vovk

doi:10.17721/fujcV5I2P144-151

Authors

Vladyslav Buldenko
Oleksandr Kobzar
Viacheslav Trush
Andriy Drapailo
Vitaly Kalchenko
Andriy Vovk

DOI:

https://doi.org/10.17721/fujcV5I2P144-151

Keywords:

sulfonylcalix[4]arene, protein tyrosine phosphatase MEG2, PTP1B, inhibition, molecular docking

Abstract

Previously, phosphonic acid derivatives of calix[4]arene and thiacalix[4]arene were found to be potential inhibitors of protein tyrosine phosphatase 1B. In the present paper, the inhibitory activity of unsubstituted sulfonyl-bridget calix[4]arene towards some of the therapeutically important protein tyrosine phosphatases has been established. The obtained results showed that the sulfonylcalix[4]arene is able to inhibit protein tyrosine phosphatase MEG2 with IC₅₀ value in the micromolar range. At the same time, the inhibitor demonstrated lower activity in case of other protein tyrosine phosphatases such as PTP1B, MEG1, TC-PTP, SHP2, and PTPβ. The performed molecular docking indicated that the inhibitor binds to the active site region of MEG2 and PTP1B with WPD-loop in the open conformation.

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