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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 as a p...

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Detalles Bibliográficos
Autores principales: Yoon, Hye Ree, Balupuri, Anand, Choi, Kwang-Eun, Kang, Nam Sook
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7554884/
https://www.ncbi.nlm.nih.gov/pubmed/32957634
http://dx.doi.org/10.3390/ijms21186826
Descripción
Sumario: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.