Discovery of depsides and depsidones from lichen as potent inhibitors of microsomal prostaglandin E2 synthase-1 using pharmacophore models

利用药效团模型发现地衣中的缩酚酸和缩酚酮是微粒体前列腺素 E2 合酶-1 的有效抑制剂

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作者:Julia Bauer, Birgit Waltenberger, Stefan M Noha, Daniela Schuster, Judith M Rollinger, Joel Boustie, Marylene Chollet, Hermann Stuppner, Oliver Werz

Abstract

Nature in silico: Virtual screening using validated pharmacophore models identified lichen depsides and depsidones as potential inhibitors of mPGES-1, an emerging target for NSAIDs. Evaluation of the virtual hits in a cell-free assay revealed physodic acid and perlatolic acid as potent inhibitors of mPGES-1 (IC(50) = 0.4 and 0.43 μM, respectively), indicating that these natural products have potential as novel anti-inflammatory agents.

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