@article{2956854,
    title = "Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity",
    author = "Panagiota Moutevelis-Minakakis, Eleni Papavassilopoulou, George Michas, Kalliopi Georgikopoulou, Maria-Eleni Ragoussi, Panagiotis Zoumpoulakis, Thomas Mavromoustakos, Dimitra Hadjipavlou-Litina",
    journal = "BIOORGANIC AND MEDICINAL CHEMISTRY",
    year = "2011",
    volume = "19",
    number = "9",
    pages = "2888-2902",
    publisher = "Elsevier",
    issn = "0968-0896",
    doi = "10.1016/j.bmc.2011.03.044",
    keywords = "2-Pyrrolidinones Anti-inflammatory activity LOX",
    abstract = "A new class of 2-pyrrolidinone derivatives was designed, synthesized, and tested for their antioxidant
and anti-inflammatory activities. The compounds were evaluated for their inhibitory activity against
LOX. The most potent among them, 14d [IC50 0.08 (±0.005) mM], and 14e [IC50 0.0705 (±0.003) mM],
were also tested in vivo. The compound 14d induced equipotent inhibition against rat paw edema, which
is very close to the effect produced by the commonly used standard, namely indomethacin (47%). The
LOX inhibitory activity of the compound 14e proceeds in parallel to the % inhibitory value of lipid peroxidation meaning that this LOX inhibitory activity is supported by the lipid peroxidation inhibition. The
molecular features that govern their bioactivity were explored through in silico docking experiments.
The results showed that acidic moieties must be placed in certain distance and orientation in the active
site of LOX enzyme in order to productively exhibit inhibitory activity. In addition, the 2-pyrrolidinone
template significantly contributes in the inhibitory properties of the new compounds"
}