Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches.
Hye Ree YoonAnand BalupuriKwang-Eun ChoiNam Sook KangPublished in: International journal of molecular sciences (2020)
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.
Keyphrases
- protein kinase
- small molecule
- cell proliferation
- endothelial cells
- type diabetes
- high throughput
- stem cells
- cognitive decline
- single cell
- risk assessment
- transcription factor
- cell cycle
- cell therapy
- climate change
- skeletal muscle
- metabolic syndrome
- adipose tissue
- insulin resistance
- pi k akt
- mild cognitive impairment
- long non coding rna
- human health
- combination therapy
- binding protein