Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.

Marion Lanier,Jason Pickens, Simone V Bigi,Erica L Bradshaw-Pierce, Alison Chambers, Zacharia S Cheruvallath,Derek Cole,Douglas R Dougan,Jacques Ermolieff,Tony Gibson,Petro Halkowycz, Aki Hirokawa,Anthony Ivetac, Joanne Miura,Evan Nunez,Mark Sabat,John Tyhonas,Haixia Wang,Xiaolun Wang,Steve Swann

ACS medicinal chemistry letters（2017）

引用 32|浏览60

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摘要

Apoptosis signal-regulating kinase 1 (ASK1/MAP3K) is a mitogen-activated protein kinase family member shown to contribute to acute ischemia/reperfusion injury. Using structure-based drug design, deconstruction, and reoptimization of a known ASK1 inhibitor, a lead compound was identified. This compound displayed robust MAP3K pathway inhibition and reduction of infarct size in an isolated perfused heart model of cardiac injury.

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关键词

Apoptosis signal-regulating kinase 1 (ASK1),cardiac injury,structure-based drug design (SBDD)

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