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Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches.


ABSTRACT: 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 ?-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.

SUBMITTER: Yoon HR 

PROVIDER: S-EPMC7554884 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches.

Yoon Hye Ree HR   Balupuri Anand A   Choi Kwang-Eun KE   Kang Nam Sook NS  

International journal of molecular sciences 20200917 18


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,  ...[more]

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