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Pharmacophore-based discovery of a novel cytosolic phospholipase A(2)? inhibitor.

ABSTRACT: The release of arachidonic acid, a precursor in the production of prostaglandins and leukotrienes, is achieved by activity of the cytosolic phospholipase A(2)? (cPLA(2)?). Signaling mediated by this class of bioactive lipids, which are collectively referred to as eicosanoids, has numerous effects in physiological and pathological processes. Herein, we report the development of a ligand-based pharmacophore model and pharmacophore-based virtual screening of the National Cancer Institute (NCI) database, leading to the identification of 4-(hexadecyloxy)-3-(2-(hydroxyimino)-3-oxobutanamido)benzoic acid (NSC 119957) as cPLA(2)? inhibitor in cell-free and cell-based in vitro assays.

SUBMITTER: Noha SM

PROVIDER: S-EPMC3268354 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Pharmacophore-based discovery of a novel cytosolic phospholipase A(2)α inhibitor.

Noha Stefan M SM Jazzar Bianca B Kuehnl Susanne S Rollinger Judith M JM Stuppner Hermann H Schaible Anja M AM Werz Oliver O Wolber Gerhard G Schuster Daniela D

Bioorganic & medicinal chemistry letters 20111130 2

The release of arachidonic acid, a precursor in the production of prostaglandins and leukotrienes, is achieved by activity of the cytosolic phospholipase A(2)α (cPLA(2)α). Signaling mediated by this class of bioactive lipids, which are collectively referred to as eicosanoids, has numerous effects in physiological and pathological processes. Herein, we report the development of a ligand-based pharmacophore model and pharmacophore-based virtual screening of the National Cancer Institute (NCI) data ...[more]

PMID: 22192589

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2019-09-26 | GSE138026 | GEO

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