The soluble epoxide hydrolase (sEH) is a key enzyme in the metabolism of epoxy-fatty acids, signaling molecules involved in numerous biologies. Toward finding novel inhibitors of sEH, a library of known drugs was tested for inhibition of sEH. We found that fulvestrant, an anticancer agent, is a potent (KI=26 nM) competitive inhibitor of sEH. From this observation, we found that alkyl-sulfoxides represent a new kind of pharmacophore for the inhibition of sEH.
Representative scheme of Epoxide_hydrolase structure and an image from PDBsum server
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Databases
PDB-Sum
4J03 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
4J03Fold classification based on Structure-Structure alignment of Proteins - FSSP server
