An Example for the Online PBPK Module Powered by Misol.kr

Chemical Properties


Physiological Values

Blood flow (mL/min)
Tissue volume (mL)
Tissue vascular volume (mL)
Tissue surface area (cm2/g tissue)

Distribution of body water, lipids, albumin, and lipoprotein for Rodgers and Rowland method

Neutral lipid (Fractional tissue volume)
Neutral phospholipid (Fractional tissue volume)
Acidic phospholipid (Tissue concentration; mg/g)
Extracellular water (Fractional tissue volume)
Intracellular water (Fractional tissue volume)
Albumin ratio (tissue-to-plasma)
Lipoprotein ratio (tissue-to-plasma)

Physicochemical Properties

Permeability

Binding

Tissue distribution (Kp)


Pharmacokinetic input parameter


Solver settings


Physiologically based pharmacokinetic model


Draw time-concentration plot


References

  1. ChEMBL
  2. ChemSpider
  3. PubChem
  4. Jeong, Y.S., et al., Estimation of the minimum permeability coefficient in rats for perfusion-limited tissue distribution in whole-body physiologically-based pharmacokinetics. Eur J Pharm Biopharm, 2017. 115: p. 1-17.
  5. Rodgers, T., D. Leahy, and M. Rowland, Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases. J Pharm Sci, 2005. 94(6): p. 1259-76.
  6. Rodgers, T. and M. Rowland, Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions. J Pharm Sci, 2006. 95(6): p. 1238-57.
  7. Poulin, P. and F.P. Theil, Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. J Pharm Sci, 2002. 91(5): p. 1358-70.
  8. Poulin, P. and F.P. Theil, Prediction of pharmacokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution. J Pharm Sci, 2002. 91(1): p. 129-56.
  9. Brown, R.P., et al., Physiological parameter values for physiologically based pharmacokinetic models. Toxicol Ind Health, 1997. 13(4): p. 407-84.
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