• DocumentCode
    3610867
  • Title

    Investigating receptor enzyme activity using time-scale analysis

  • Author

    Tao You ; Hong Yue

  • Author_Institution
    Comput. Biol., Discovery Sci., Innovative Medicines & Early Dev., AstraZeneca, Macclesfield, UK
  • Volume
    9
  • Issue
    6
  • fYear
    2015
  • Firstpage
    268
  • Lastpage
    276
  • Abstract
    At early drug discovery, purified protein-based assays are often used to characterise compound potency. In the context of dose response, it is often perceived that a time-independent inhibitor is reversible and a time-dependent inhibitor is irreversible. The legitimacy of this argument is investigated using a simple kinetics model, where it is revealed by model-based analytical analysis and numerical studies that dose response of an irreversible inhibitor may appear time-independent under certain parametric conditions. Hence, the observation of time-independence cannot be used as sole evidence for identification of inhibitor reversibility. It has also been discussed how the synthesis and degradation of a target receptor affect drug inhibition in an in vitro cell-based assay setting. These processes may also influence dose response of an irreversible inhibitor in such a way that it appears time-independent under certain conditions. Furthermore, model-based steady-state analysis reveals the complexity nature of the drug-receptor process.
  • Keywords
    biochemistry; cellular biophysics; drugs; enzymes; molecular biophysics; reaction kinetics; compound potency; dose response; drug discovery; drug inhibition; drug-receptor process; in vitro cell-based assay setting; irreversible time-dependent inhibitor; kinetics model; model-based steady-state analysis; purified protein-based assays; receptor enzyme activity; reversible time-independent inhibitor; target receptor degradation; time-scale analysis;
  • fLanguage
    English
  • Journal_Title
    Systems Biology, IET
  • Publisher
    iet
  • ISSN
    1751-8849
  • Type

    jour

  • DOI
    10.1049/iet-syb.2015.0037
  • Filename
    7331743