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

Tjeerd Barf,Allard Kaptein,Sander de Wilde,Ruud van der Heijden,Richard van Someren,Dennis Demont,Carsten Schultz-Fademrecht,Judith Versteegh,Mario van Zeeland,Nicole Seegers,Bert Kazemier,Bas van de Kar,Maaike van Hoek,Jeroen de Roos,Henri Klop,Ruben Smeets,Claudia Hofstra,Jorrit Hornberg,Arthur Oubrie

Bioorganic & Medicinal Chemistry Letters（2011）

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摘要

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.

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关键词

MAPKAPK2,MK2,Anti-TNFα,SBDD,Rheumatoid arthritis

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