Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches

Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) is a protein kinase with diverse functions in cell regulation. Abnormal expression and activity of DYRK1A contribute to numerous human malignancies, Down syndrome, and Alzheimer's disease. Notably, DYRK1A has been proposed a...

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Veröffentlicht in:International journal of molecular sciences 2020-09, Vol.21 (18), p.6826
Hauptverfasser: Yoon, Hye Ree, Balupuri, Anand, Choi, Kwang-Eun, Kang, Nam Sook
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Sprache:eng
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Zusammenfassung:Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) is a protein kinase with diverse functions in cell regulation. Abnormal expression and activity of DYRK1A contribute to numerous human malignancies, Down syndrome, and Alzheimer's disease. Notably, DYRK1A has been proposed as a potential therapeutic target for the treatment of diabetes because of its key role in pancreatic β-cell proliferation. Consequently, DYRK1A is an attractive drug target for a variety of diseases. Here, we report the identification of several DYRK1A inhibitors using our in-house topological water network-based approach. All inhibitors were further verified by in vitro assay.
ISSN:1422-0067
1661-6596
1422-0067
DOI:10.3390/ijms21186826