Premium
Complementary Screening Techniques Yielded Fragments that Inhibit the Phosphatase Activity of Soluble Epoxide Hydrolase
Author(s) -
Hahn Steffen,
Achenbach Janosch,
Buscató Estella,
Klingler FrancaMaria,
Schroeder Mirjam,
Meirer Karin,
Hieke Martina,
Heering Jan,
BarbosaSicard Eduardo,
Loehr Frank,
Fleming Ingrid,
Doetsch Volker,
SchubertZsilavecz Manfred,
Steinhilber Dieter,
Proschak Ewgenij
Publication year - 2011
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.201100433
Subject(s) - virtual screening , epoxide hydrolase 2 , epoxide hydrolase , docking (animal) , chemistry , phosphatase , enzyme , hydrolase , computational biology , biochemistry , biology , drug discovery , medicine , nursing , microsome
A combination of three methods —molecular docking (virtual screening), saturation transfer difference (STD)‐NMR screening, and a fluorescence‐based activity assay—were used to screen a fragment library for potential lead fragments displaying inhibition of the phosphatase activity of soluble epoxide hydrolase, an enzyme involved in pathophysiologically relevant processes, including proliferation and apoptosis.