Structure-based lead identification of ATP-competitive MK2 inhibitors.

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Barf T, Kaptein A, de Wilde S, van der Heijden R, van Someren R, Demont D, Schultz-Fademrecht C, Versteegh J, van Zeeland M, Seegers N, Kazemier B, van de Kar B, van Hoek M, de Roos J, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A

Structure-based lead identification of ATP-competitive MK2 inhibitors.

Bioorg Med Chem Lett. 2011 Jun 15;21(12):3818-22. doi: 10.1016/j.bmcl.2011.04.018. Epub 2011 Apr 16.

PubMed ID

21565500 [ View in PubMed

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Abstract

MK2 kinase is a promising drug discovery target for the treatment of inflammatory diseases. Here, we describe the discovery of novel MK2 inhibitors using X-ray crystallography and structure-based drug design. The lead has in vivo efficacy in a short-term preclinical model.

DrugBank Data that Cites this Article

Polypeptides

Name	UniProt ID
MAP kinase-activated protein kinase 3	Q16644	Details

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE	MAP kinase-activated protein kinase 2	EC 50 (nM)	49	N/A	N/A	Details