Tissue Lumping Calculator (TLC)

Yoo-Seong Jeong, Ph.D; Min-Soo Kim; and Suk-Jae Chung, Ph.D
College of Pharmacy and Research Institute of Pharmaceutical Sciences, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 08826, Republic of Korea

This page is provided as a supplementary material for Jeong et al (2022a and 2022b; AAPS J). Since calculations are carried out on the same mathematical basis between this page and the articles, please refer to the publications for detailed descriptions of the PBPK models used in this page. Please note that numerically slight difference may be present in model simulations due to the different operation environments (i.e., Python for the paper and JavaScript for this page).

Eigenvalues and eigenvectors for the PBPK system matrices are calculated by Linalg methods of SciPy/NumPy library for the articles and this page. Complex numbers are handled by Math.js for this page, and NumPy library for the articles. jQuery is used for the control of DOM entities. Plasma concentration-time profile in this calculation result is generated by Plotly.

Inputs

System properties
Units

Species
Dose
Tissue lumping mode



Model for fractional distribution parameter (fd)

Tissue models are described in Jeong et al. (2017).

Model 1:
Model 2:
Manual fd values










Compound properties
Permeability coefficient (Papp,PAMPA)
Experimental Papp,PAMPA
Tissue-to-plasma partition coefficient (Kp)
Experimental Kp values

The PBPK-operative Kp can be determined as the tissue-to-plasma concentration ratio at steady-state (Kp,ss), since the central elimination is assumed in this calculation [Jeong and Jusko (2022)].












Physicochemical properties









Hansch equation:



Blood partitioning properties

Elimination
Figure setting (Plasma concentration-time plot)
Time range

Results

Kp

Papp,PAMPA (×10-6 cm/s)

fd

Mean transit time ()

Lumping-related parameter(s)

Differential equations

Eigenvalues

Eigenvector matrix

Plasma concentration-time plot

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