VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • Docking and molecular dynamics calculations of pyrrolidinone analog MMK16 bound to COX and LOX enzymes
    Neophytou, N. ...
    The new molecule 4-[(2S)-2-(1H-imidazol-1-ylmethyl)-5-oxotetrahydro-1H-pyrrol-1-yl]methylbenzene carboxylic acid (MMK16) was found to have promising anti-inflammatory activity. This biological ... behavior of MMK16 triggered our interest to study its binding affinity using NMR spectroscopy in LOX and its docking and molecular dynamics (MD) properties in LOX and COX enzymes. The present NMR anddocking binding studies not only rationalize the obtained biological results since in all three receptors MMK16 shows high affinity and scoring butalso make it a potential dual LOX-5/COX-2 inhibitor. Thus, this class of molecules must be further investigated for discovering compounds possessing better biological activity and more lasting biological effect.
    Vir: EuroQSAR 2010 (Vol. 30, iss. 5, 2011, str. 473-486)
    Vrsta gradiva - prispevek na konferenci
    Leto - 2011
    Jezik - angleški
    COBISS.SI-ID - 4654106
    DOI

vir: EuroQSAR 2010 (Vol. 30, iss. 5, 2011, str. 473-486)
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