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@ARTICLE{Palermo:829382,
      author       = {Palermo, Giulia and Favia, Angelo D. and Convertino, Marino
                      and De Vivo, Marco},
      title        = {{T}he {M}olecular {B}asis for {D}ual {F}atty {A}cid {A}mide
                      {H}ydrolase ({FAAH})/{C}yclooxygenase ({COX}) {I}nhibition},
      journal      = {ChemMedChem},
      volume       = {11},
      number       = {12},
      issn         = {1860-7179},
      address      = {Weinheim [u.a.]},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2017-03095},
      pages        = {1252 - 1258},
      year         = {2016},
      abstract     = {The design of multitarget-directed ligands is a promising
                      strategy for discovering innovative drugs. Here, we report a
                      mechanistic study that clarifies key aspects of the dual
                      inhibition of the fatty acid amide hydrolase (FAAH) and the
                      cyclooxygenase (COX) enzymes by a new multitarget-directed
                      ligand named ARN2508
                      (2-[3-fluoro-4-[3-(hexylcarbamoyloxy)phenyl]phenyl]propanoic
                      acid). This potent dual inhibitor combines, in a single
                      scaffold, the pharmacophoric elements often needed to block
                      FAAH and COX, that is, a carbamate moiety and the
                      2-arylpropionic acid functionality, respectively. Molecular
                      modeling and molecular dynamics simulations suggest that
                      ARN2508 uses a noncovalent mechanism of inhibition to block
                      COXs, while inhibiting FAAH via the acetylation of the
                      catalytic Ser241, in line with previous experimental
                      evidence for covalent FAAH inhibition. This study proposes
                      the molecular basis for the dual FAAH/COX inhibition by this
                      novel hybrid scaffold, stimulating further experimental
                      studies and offering new insights for the rational design of
                      novel anti-inflammatory agents that simultaneously act on
                      FAAH and COX.},
      cin          = {IAS-5 / INM-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000380024300008},
      pubmed       = {pmid:26593700},
      doi          = {10.1002/cmdc.201500507},
      url          = {https://juser.fz-juelich.de/record/829382},
}