Discovery and optimization of p38 inhibitors via computer-assisted drug design

被引：21

作者：

Goldberg, Daniel R.

Hao, Ming-Hong

Qian, Kevin C.

Swinamer, Alan D.

Gao, Donghong A.

Xiong, Zhaoming

Sarko, Chris

Berry, Angela

Lord, John

Magolda, Ronald L.

Fadra, Tazmeen

Kroe, Rachel R.

Kukulka, Alison

Madwed, Jeffrey B.

Martin, Leslie

Pargellis, Christopher

Skow, Donna

Song, Jinhua J.

Tan, Zhulin

Torcellini, Carol A.

Zimmitti, Clare S.

Yee, Nathan K.

Moss, Neil

机构：

[1] Boehringer Ingelheim Pharmaceut Inc, Dept Med Chem, Ctr Res & Dev, Ridgefield, CT 06877 USA

[2] Boehringer Ingelheim Pharmaceut Inc, Dept Immunol & Inflammat, Ctr Res & Dev, Ridgefield, CT 06877 USA

[3] Boehringer Ingelheim Pharmaceut Inc, Dept Biol & Biomol Sci, Ctr Res & Dev, Ridgefield, CT 06877 USA

[4] Boehringer Ingelheim Pharmaceut Inc, Dept Cardiovasc, Ctr Res & Dev, Ridgefield, CT 06877 USA

[5] Boehringer Ingelheim Pharmaceut Inc, Dept Drug Discovery Support, Ctr Res & Dev, Ridgefield, CT 06877 USA

[6] Boehringer Ingelheim Pharmaceut Inc, Dept Chem Dev, Ctr Res & Dev, Ridgefield, CT 06877 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2007年 / 50卷 / 17期

关键词：

D O I：

10.1021/jm070415w

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Integration of computational methods, X-ray crystallography, and structure-activity relationships will be disclosed, which lead to a new class of p38 inhibitors that bind to p38 MAP kinase in a Phe out conformation.

引用

页码：4016 / 4026

页数：11

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