Calix[4]arene methylenebisphosphonic acids as inhibitors of protein tyrosine phosphatase 1B |
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Authors: | Viacheslav V. Trush Sergiy O. Cherenok Vsevolod Yu. Tanchuk Valery P. Kukhar Vitaly I. Kalchenko Andriy I. Vovk |
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Affiliation: | 1. Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, Murmanska, 1, 02660 Kyiv-94, Ukraine;2. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanska, 5, 02660 Kyiv-94, Ukraine |
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Abstract: | Сalix[4]arenes bearing methylenebisphosphonic or hydroxymethylenebisphosphonic acid fragments at the wide rim of the macrocycle were studied as inhibitors of PTP1B. Some of the inhibitors showed IC50 values in the micromolar range and good selectivity in comparison with other protein tyrosine phosphatases such as TC-PTP, PTPβ, LAR, and CD45. Kinetic studies indicated that the calix[4]arene derivatives influence PTP1B activity as slow-binding inhibitors. Based on molecular docking results, the binding modes of the macrocyclic bisphosphonates in the active centre of PTP1B are discussed. |
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Keywords: | Protein tyrosine phosphatase 1B Methylenebisphosphonic acid Calixarene Inhibition Molecular docking |
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