Discovery and Characterization of Selective and Ligand-Efficient DYRK Inhibitors.

Henderson SH., Sorrell F., Bennett J., Fedorov O., Hanley MT., Godoi PH., Ruela de Sousa R., Robinson S., Ashall-Kelly A., Hopkins Navratilova I., Walter DS., Elkins JM., Ward SE.

Dual-specificity tyrosine-regulated kinase 1A (DYRK1A) regulates the proliferation and differentiation of neuronal progenitor cells during brain development. Consequently, DYRK1A has attracted interest as a target for the treatment of neurodegenerative diseases, including Alzheimer's disease (AD) and Down's syndrome. Recently, the inhibition of DYRK1A has been investigated as a potential treatment for diabetes, while DYRK1A's role as a mediator in the cell cycle has garnered interest in oncologic indications. Structure-activity relationship (SAR) analysis in combination with high-resolution X-ray crystallography leads to a series of pyrazolo[1,5-b]pyridazine inhibitors with excellent ligand efficiencies, good physicochemical properties, and a high degree of selectivity over the kinome. Compound 11 exhibited good permeability and cellular activity without P-glycoprotein liability, extending the utility of 11 in an in vivo setting. These pyrazolo[1,5-b]pyridazines are a viable lead series in the discovery of new therapies for the treatment of diseases linked to DYRK1A function.

DOI

10.1021/acs.jmedchem.1c01115

Type

Journal article

Publication Date

2021-08-01T00:00:00+00:00

Volume

64

Pages

11709 - 11728

Total pages

19

Addresses

Sussex Drug Discovery Centre, University of Sussex, Brighton BN1 9RH, U.K.

Keywords

Humans, Protein Kinase Inhibitors, Ligands, Molecular Structure, Structure-Activity Relationship, Dose-Response Relationship, Drug, Solubility, Protein-Tyrosine Kinases, Drug Discovery, HEK293 Cells, Protein Serine-Threonine Kinases, Dyrk Kinases

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