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

共 50 条

[1] Structure-based combinatorial library design: Discovery of non-peptidic inhibitors of caspases 3 and 8
Martha S. Head
M. Dominic Ryan
Dennis Lee
Yanhong Feng
Cheryl A. Janson
Nestor O. Concha
Paul M. Keller
Walter E. deWolf
Journal of Computer-Aided Molecular Design, 2001, 15 : 1105 - 1117
[2] Structure-based optimization of non-peptidic Cathepsin D inhibitors
Graedler, Ulrich
Czodrowski, Paul
Tsaklakidis, Christos
Klein, Markus
Werkmann, Daniela
Lindemann, Sven
Maskos, Klaus
Leuthner, Birgitta
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2014, 24 (17) : 4141 - 4150
[3] Recent progress in the drug discovery of non-peptidic BACE1 inhibitors
Hamada, Yoshio
Kiso, Yoshiaki
EXPERT OPINION ON DRUG DISCOVERY, 2009, 4 (04) : 391 - 416
[4] Recent progress on the discovery of non-peptidic direct renin inhibitors for the clinical management of hypertension
Yokokawa, Fumiaki
EXPERT OPINION ON DRUG DISCOVERY, 2013, 8 (06) : 673 - 690
[5] Structure-directed discovery of potent non-peptidic inhibitors of human urokinase that access a novel binding subsite
Nienaber, VL
Davidson, D
Edalji, R
Giranda, VL
Klinghofer, V
Henkin, J
Magdalinos, P
Mantei, R
Merrick, S
Severin, JM
Smith, RA
Stewart, K
Walter, K
Wang, JY
Wendt, M
Weitzberg, M
Zhao, XM
Rockway, T
STRUCTURE, 2000, 8 (05) : 553 - 563
[6] Structure-Based Design of a New Scaffold for Cell-Penetrating Peptidic Inhibitors of the Histone Demethylase PHF8
Dorosz, Jerzy
Olsen, Lars
Seger, Signe Teuber
Steinhauer, Cornelia
Bouras, Giorgos
Helgstrand, Charlotte
Wiuf, Anders
Gajhede, Michael
CHEMBIOCHEM, 2017, 18 (14) : 1369 - 1375
[7] Structure-Based Discovery of PDEs Inhibitors
Li, Li
Chen, Wuyan
Chen, Tiantian
Ren, Jing
Xu, Yechun
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2016, 16 (09) : 917 - 933
[8] Structure-based design of combinatorial mutagenesis libraries
Verma, Deeptak
Grigoryan, Gevorg
Bailey-Kellogg, Chris
PROTEIN SCIENCE, 2015, 24 (05) : 895 - 908
[9] Discovery and Structure-Based Optimization of Adenain Inhibitors
Mac Sweeney, Aengus
Grosche, Philipp
Ellis, David
Combrink, Keith
Erbel, Paul
Hughes, Nicola
Sirockin, Finton
Melkko, Samu
Bernardi, Anna
Ramage, Paul
Jarousse, Nadine
Altmann, Eva
ACS MEDICINAL CHEMISTRY LETTERS, 2014, 5 (08): : 937 - 941
[10] Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D
Kick, EK
Roe, DC
Skillman, AG
Liu, GC
Ewing, TJA
Sun, YX
Kuntz, ID
Ellman, JA
CHEMISTRY & BIOLOGY, 1997, 4 (04): : 297 - 307

← 1 2 3 4 5 →