International Journal of Molecular Sciences (Sep 2020)

Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches

  • Hye Ree Yoon,
  • Anand Balupuri,
  • Kwang-Eun Choi,
  • Nam Sook Kang

DOI
https://doi.org/10.3390/ijms21186826
Journal volume & issue
Vol. 21, no. 18
p. 6826

Abstract

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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.

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