Optimisation of Conoidin A, a Peroxiredoxin Inhibitor

Gu Liu; Catherine H. Botting; Kathryn M. Evans; Jeffrey G. A. Walton; Guogang Xu; Alexandra M. Z. Slawin; Nicholas J. Westwood

doi:10.1002/cmdc.200900391

Optimisation of Conoidin A, a Peroxiredoxin Inhibitor

Gu Liu^*, Catherine H. Botting, Kathryn M. Evans, Jeffrey G. A. Walton, Guogang Xu, Alexandra M. Z. Slawin, Nicholas J. Westwood

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Interest in the inhibition of peroxiredoxin has been revitalised by their recently identified role in signalling cascades. Here, the synthesis and analysis of novel analogues of the peroxiredoxin inhibitor conoidin A is described. Computational methods are used to rationalise the generated SAR data. These studies lead to a proposed binding mode for this class of compounds that will aid the design of second generation inhibitors.

Original language	English
Pages (from-to)	41-45
Number of pages	5
Journal	ChemMedChem
Volume	5
Issue number	1
Early online date	27 Nov 2009
DOIs	https://doi.org/10.1002/cmdc.200900391
Publication status	Published - 4 Jan 2010

Keywords

conoidin A
inhibitors
molecular modeling
peroxiredoxin
Toxoplasma gondii
TOXOPLASMA-GONDII
HYDROGEN-PEROXIDE
ANTIOXIDANT
DEFENSE
MECHANISMS
TARGETS

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10.1002/cmdc.200900391

http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200900391/full

Cite this

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title = "Optimisation of Conoidin A, a Peroxiredoxin Inhibitor",

abstract = "Interest in the inhibition of peroxiredoxin has been revitalised by their recently identified role in signalling cascades. Here, the synthesis and analysis of novel analogues of the peroxiredoxin inhibitor conoidin A is described. Computational methods are used to rationalise the generated SAR data. These studies lead to a proposed binding mode for this class of compounds that will aid the design of second generation inhibitors.",

keywords = "conoidin A, inhibitors, molecular modeling, peroxiredoxin, Toxoplasma gondii, TOXOPLASMA-GONDII, HYDROGEN-PEROXIDE, ANTIOXIDANT, DEFENSE, MECHANISMS, TARGETS",

author = "Gu Liu and Botting, {Catherine H.} and Evans, {Kathryn M.} and Walton, {Jeffrey G. A.} and Guogang Xu and Slawin, {Alexandra M. Z.} and Westwood, {Nicholas J.}",

year = "2010",

month = jan,

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doi = "10.1002/cmdc.200900391",

language = "English",

volume = "5",

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journal = "ChemMedChem",

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T1 - Optimisation of Conoidin A, a Peroxiredoxin Inhibitor

AU - Liu, Gu

AU - Botting, Catherine H.

AU - Evans, Kathryn M.

AU - Walton, Jeffrey G. A.

AU - Xu, Guogang

AU - Slawin, Alexandra M. Z.

AU - Westwood, Nicholas J.

PY - 2010/1/4

Y1 - 2010/1/4

N2 - Interest in the inhibition of peroxiredoxin has been revitalised by their recently identified role in signalling cascades. Here, the synthesis and analysis of novel analogues of the peroxiredoxin inhibitor conoidin A is described. Computational methods are used to rationalise the generated SAR data. These studies lead to a proposed binding mode for this class of compounds that will aid the design of second generation inhibitors.

AB - Interest in the inhibition of peroxiredoxin has been revitalised by their recently identified role in signalling cascades. Here, the synthesis and analysis of novel analogues of the peroxiredoxin inhibitor conoidin A is described. Computational methods are used to rationalise the generated SAR data. These studies lead to a proposed binding mode for this class of compounds that will aid the design of second generation inhibitors.

KW - conoidin A

KW - inhibitors

KW - molecular modeling

KW - peroxiredoxin

KW - Toxoplasma gondii

KW - TOXOPLASMA-GONDII

KW - HYDROGEN-PEROXIDE

KW - ANTIOXIDANT

KW - DEFENSE

KW - MECHANISMS

KW - TARGETS

U2 - 10.1002/cmdc.200900391

DO - 10.1002/cmdc.200900391

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EP - 45

JO - ChemMedChem

JF - ChemMedChem

SN - 1860-7179

IS - 1

ER -

Optimisation of Conoidin A, a Peroxiredoxin Inhibitor

Abstract

Keywords

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