Literature DB >> 12160093

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

M S Head1, M D Ryan, D Lee, Y Feng, C A Janson, N O Concha, P M Keller, W E deWolf.   

Abstract

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-A 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.

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Year:  2001        PMID： 12160093     DOI： 10.1023/a:1015976725743

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  12 in total

Review 1.  Caspases as targets for anti-inflammatory and anti-apoptotic drug discovery.

Authors:  R V Talanian; K D Brady; V L Cryns
Journal:  J Med Chem       Date:  2000-09-07       Impact factor: 7.446

2.  Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.

Authors:  P R Mittl; S Di Marco; J F Krebs; X Bai; D S Karanewsky; J P Priestle; K J Tomaselli; M G Grütter
Journal:  J Biol Chem       Date:  1997-03-07       Impact factor: 5.157

3.  Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.

Authors:  D Lee; S A Long; J L Adams; G Chan; K S Vaidya; T A Francis; K Kikly; J D Winkler; C M Sung; C Debouck; S Richardson; M A Levy; W E DeWolf; P M Keller; T Tomaszek; M S Head; M D Ryan; R C Haltiwanger; P H Liang; C A Janson; P J McDevitt; K Johanson; N O Concha; W Chan; S S Abdel-Meguid; A M Badger; M W Lark; D P Nadeau; L J Suva; M Gowen; M E Nuttall
Journal:  J Biol Chem       Date:  2000-05-26       Impact factor: 5.157

Review 4.  Caspases: enemies within.

Authors:  N A Thornberry; Y Lazebnik
Journal:  Science       Date:  1998-08-28       Impact factor: 47.728

5.  QXP: powerful, rapid computer algorithms for structure-based drug design.

Authors:  C McMartin; R S Bohacek
Journal:  J Comput Aided Mol Des       Date:  1997-07       Impact factor: 3.686

6.  A catalytic mechanism for caspase-1 and for bimodal inhibition of caspase-1 by activated aspartic ketones.

Authors:  K D Brady; D A Giegel; C Grinnell; E Lunney; R V Talanian; W Wong; N Walker
Journal:  Bioorg Med Chem       Date:  1999-04       Impact factor: 3.641

7.  Statistical analysis of enzyme kinetic data.

Authors:  W W Cleland
Journal:  Methods Enzymol       Date:  1979       Impact factor: 1.600

8.  The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis.

Authors:  J Rotonda; D W Nicholson; K M Fazil; M Gallant; Y Gareau; M Labelle; E P Peterson; D M Rasper; R Ruel; J P Vaillancourt; N A Thornberry; J W Becker
Journal:  Nat Struct Biol       Date:  1996-07

9.  Potent and selective nonpeptide inhibitors of caspases 3 and 7.

Authors:  D Lee; S A Long; J H Murray; J L Adams; M E Nuttall; D P Nadeau; K Kikly; J D Winkler; C M Sung; M D Ryan; M A Levy; P M Keller; W E DeWolf
Journal:  J Med Chem       Date:  2001-06-07       Impact factor: 7.446

10.  Bimodal inhibition of caspase-1 by aryloxymethyl and acyloxymethyl ketones.

Authors:  K D Brady
Journal:  Biochemistry       Date:  1998-06-09       Impact factor: 3.162
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  1 in total

Review 1.  Neuroprotection and acute spinal cord injury: a reappraisal.

Authors:  Edward D Hall; Joe E Springer
Journal:  NeuroRx       Date:  2004-01
  1 in total

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