@article{CAMES, author = {Sławomir Piekarski and Piotr Kiełczyński and Marek Szalewski and Mirosław Rewekant}, title = { Computer-based simulation of plasma concentration time-profiles of drug in nonlinear two-compartment model}, journal = {Computer Assisted Methods in Engineering and Science}, volume = {20}, number = {4}, year = {2017}, keywords = {}, abstract = {The main interest of pharmacokinetics is the study of the fate of drugs in the living organism. This work proposes the system of the conservation laws that describes time-dependent concentrations of a drug, after a single intravenous administration. Compared with others, the proposed model considers both free and protein-bound drug concentrations at the same time. Plasma protein binding captured in the model enters the nonlinearity arising from the Guldberg-Waage law. According to our best knowledge, the analytical solution for our system does not exist. Our model allows the calculation of the free and bound-drug protein concentrations at any time point and at any dose after single intravenous bolus dose administration. In order to compare the empirical with simulated data, a numerical approach has been proposed. On the basis of published experimental data the model validation has been carried out. The goodness of fit was satisfactory (R² = 0.99) and the experimental and simulated AUC (area under the curve) values, as the measure of the bioavailability of drug, were similar (150 M/hxh-¹). The preliminary assessment of the model credibility was positive and encouraged further studies.}, issn = {2956-5839}, pages = {279--288}, doi = {10.24423/cames.59}, url = {https://cames.ippt.gov.pl/index.php/cames/article/view/59} }