Title : From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules.

Pub. Date : 2012 Aug 6

PMID : 23002419






2 Functional Relationships(s)
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1 We report a virtual screening (VS) workflow, based on a combination of three-dimensional shape and electrostatic similarity to discover novel scaffolds for the development of non-ATP competitive inhibitors of JNK targeting the JNK-JIP interaction. Adenosine Triphosphate mitogen-activated protein kinase 8 Homo sapiens
2 We report a virtual screening (VS) workflow, based on a combination of three-dimensional shape and electrostatic similarity to discover novel scaffolds for the development of non-ATP competitive inhibitors of JNK targeting the JNK-JIP interaction. Adenosine Triphosphate mitogen-activated protein kinase 8 Homo sapiens