Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

K. A. Nolan; M. P. Humphries; R. A. Bryce; I. J. Stratford

doi:10.1016/j.bmcl.2010.03.051

Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

K. A. Nolan, M. P. Humphries, R. A. Bryce, I. J. Stratford

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

Abstract

The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R2 = 0.88) was established, relating inhibitory potency with calculated binding affinity. From this, the imidazoacridin-6-one, NSC660841, was identified as the most potent inhibitor of NQO2 yet reported (IC50 = 6 nM). © 2010 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	2832-2836
Number of pages	4
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	20
Issue number	9
DOIs	https://doi.org/10.1016/j.bmcl.2010.03.051
Publication status	Published - 1 May 2010

Keywords

Docking
Imidazoacridinones
NQO2
Structure/activity relationships

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10.1016/j.bmcl.2010.03.051

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title = "Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2",

abstract = "The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R2 = 0.88) was established, relating inhibitory potency with calculated binding affinity. From this, the imidazoacridin-6-one, NSC660841, was identified as the most potent inhibitor of NQO2 yet reported (IC50 = 6 nM). {\textcopyright} 2010 Elsevier Ltd. All rights reserved.",

keywords = "Docking, Imidazoacridinones, NQO2, Structure/activity relationships",

author = "Nolan, {K. A.} and Humphries, {M. P.} and Bryce, {R. A.} and Stratford, {I. J.}",

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T1 - Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

AU - Nolan, K. A.

AU - Humphries, M. P.

AU - Bryce, R. A.

AU - Stratford, I. J.

PY - 2010/5/1

Y1 - 2010/5/1

N2 - The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R2 = 0.88) was established, relating inhibitory potency with calculated binding affinity. From this, the imidazoacridin-6-one, NSC660841, was identified as the most potent inhibitor of NQO2 yet reported (IC50 = 6 nM). © 2010 Elsevier Ltd. All rights reserved.

AB - The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R2 = 0.88) was established, relating inhibitory potency with calculated binding affinity. From this, the imidazoacridin-6-one, NSC660841, was identified as the most potent inhibitor of NQO2 yet reported (IC50 = 6 nM). © 2010 Elsevier Ltd. All rights reserved.

KW - Docking

KW - Imidazoacridinones

KW - NQO2

KW - Structure/activity relationships

U2 - 10.1016/j.bmcl.2010.03.051

DO - 10.1016/j.bmcl.2010.03.051

M3 - Article

C2 - 20356739

SN - 1464-3405

VL - 20

SP - 2832

EP - 2836

JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

IS - 9

ER -

Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

Abstract

Keywords

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