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Discovery of Depsides and Depsidones from Lichen as Potent Inhibitors of Microsomal Prostaglandin E2 Synthase‐1 Using Pharmacophore Models
Author(s) -
Bauer Julia,
Waltenberger Birgit,
Noha Stefan M.,
Schuster Daniela,
Rollinger Judith M.,
Boustie Joel,
Chollet Marylene,
Stuppner Hermann,
Werz Oliver
Publication year - 2012
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201200345
Subject(s) - pharmacophore , virtual screening , in silico , chemistry , stereochemistry , computational biology , biochemistry , biology , gene
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 μ M , respectively), indicating that these natural products have potential as novel anti‐inflammatory agents.