Structure-based combinatorial library design: Discovery of non-peptidic inhibitors of caspases 3 and 8

被引：1

作者：

Head, MS ^{[1
]}

Ryan, MD

Lee, D

Feng, Y

Janson, CA

Concha, NO

Keller, PM

deWolf, WE

机构：

[1] SmithKline Beecham Pharmaceut, Phys & Struct Chem, King Of Prussia, PA 19406 USA

[2] SmithKline Beecham Pharmaceut, Discovery Chem, King Of Prussia, PA 19406 USA

[3] SmithKline Beecham Pharmaceut, Struct Biol, King Of Prussia, PA 19406 USA

[4] SmithKline Beecham Pharmaceut, Mech Enzymol, King Of Prussia, PA 19406 USA

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 2001年 / 15卷 / 12期

关键词：

caspase; 3; caspace; 8; inhibitors; structure-based design; combinatorial library;

D O I：

10.1023/A:1015976725743

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Structure-based design of a combinatorial array was carried out in order to identify non-peptidic thiomethylketone inhibitors of caspases 3 and 8. Five compounds from the designed array were active against caspase 3, and two were active against caspase 8. A 2.5-Angstrom resolution co-crystal structure of caspase 3 and a thiomethylketone array member is reported. The structure-based design strategy has proved useful for identifying caspase inhibitors.

引用

页码：1105 / 1117

页数：13

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