Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion
This study offers and explores fractional models derived from a classical Pharmacokinetics (PK) compartmental system. The fractional models are essentially enlarged versions of the classical model, and their distinguishing characteristics are further examined comprehensively. Through numerical simul...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-06-01
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| Series: | Scientific African |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S246822762500170X |
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| author | Reindorf Nartey Borkor Adu Sakyi Nicholas Kwasi-Do Ohene Opoku Rhydal Esi Eghan John Amoah-Mensah Ali Abubakar Kwame Owusu Edusei Peter Amoako-Yirenkyi |
| author_facet | Reindorf Nartey Borkor Adu Sakyi Nicholas Kwasi-Do Ohene Opoku Rhydal Esi Eghan John Amoah-Mensah Ali Abubakar Kwame Owusu Edusei Peter Amoako-Yirenkyi |
| author_sort | Reindorf Nartey Borkor |
| collection | DOAJ |
| description | This study offers and explores fractional models derived from a classical Pharmacokinetics (PK) compartmental system. The fractional models are essentially enlarged versions of the classical model, and their distinguishing characteristics are further examined comprehensively. Through numerical simulations using the Grunwald–Letnikov finite difference method, we demonstrate that fractional PK models provide a more realistic representation of drug dynamics compared to classical model. It is demonstrated that certain model features are incompatible with the idea of mass balance. However, they appeared to surpass classical calculus theory when simulating anomalous kinetics. We demonstrate this behaviour through stability analysis of the equilibrium point under conditions of different fractional orders as well as fitting the proposed models to an experimental data set (amiodarone), thereby estimating parameters using the least-square approach. The findings reveal that fractional pharmacokinetic models provide a more accurate and physically realistic representation of drug distribution, capturing memory effects and non-exponential drug elimination. This ensures better agreement with experimental observations compared to classical integer-order models. |
| format | Article |
| id | doaj-art-f9853d7e19134b608efe2e58e2f28ab3 |
| institution | DOAJ |
| issn | 2468-2276 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Scientific African |
| spelling | doaj-art-f9853d7e19134b608efe2e58e2f28ab32025-08-20T03:10:27ZengElsevierScientific African2468-22762025-06-0128e0270010.1016/j.sciaf.2025.e02700Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusionReindorf Nartey Borkor0Adu Sakyi1Nicholas Kwasi-Do Ohene Opoku2Rhydal Esi Eghan3John Amoah-Mensah4Ali Abubakar5Kwame Owusu Edusei6Peter Amoako-Yirenkyi7Department of Mathematics, Kwame Nkrumah University of Science and Technology (KNUST), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), Ghana; Corresponding author at: Department of Mathematics, Kwame Nkrumah University of Science and Technology (KNUST), Ghana.Department of Mathematics, Kwame Nkrumah University of Science and Technology (KNUST), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaDepartment of Biochemistry and Biotechnology, Kwame Nkrumah University of Science and Technology (KNUST), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaDepartment of Mathematics, Kwame Nkrumah University of Science and Technology (KNUST), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaDepartment of Applied Mathematics, Sunyani Technical University, GhanaDepartment of Mathematics, University of Cape Coast (UCC), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaDepartment of Applied Mathematics and Statistics, Accra Technical University, Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaDepartment of Mathematics, Kwame Nkrumah University of Science and Technology (KNUST), Ghana; Center for Scientific and Technical Computing, National Institute for Mathematical Sciences (NIMS), GhanaThis study offers and explores fractional models derived from a classical Pharmacokinetics (PK) compartmental system. The fractional models are essentially enlarged versions of the classical model, and their distinguishing characteristics are further examined comprehensively. Through numerical simulations using the Grunwald–Letnikov finite difference method, we demonstrate that fractional PK models provide a more realistic representation of drug dynamics compared to classical model. It is demonstrated that certain model features are incompatible with the idea of mass balance. However, they appeared to surpass classical calculus theory when simulating anomalous kinetics. We demonstrate this behaviour through stability analysis of the equilibrium point under conditions of different fractional orders as well as fitting the proposed models to an experimental data set (amiodarone), thereby estimating parameters using the least-square approach. The findings reveal that fractional pharmacokinetic models provide a more accurate and physically realistic representation of drug distribution, capturing memory effects and non-exponential drug elimination. This ensures better agreement with experimental observations compared to classical integer-order models.http://www.sciencedirect.com/science/article/pii/S246822762500170XFractional calculusPharmacokineticsGrunwald–Letnikov derivativeCompartmental models |
| spellingShingle | Reindorf Nartey Borkor Adu Sakyi Nicholas Kwasi-Do Ohene Opoku Rhydal Esi Eghan John Amoah-Mensah Ali Abubakar Kwame Owusu Edusei Peter Amoako-Yirenkyi Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion Scientific African Fractional calculus Pharmacokinetics Grunwald–Letnikov derivative Compartmental models |
| title | Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| title_full | Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| title_fullStr | Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| title_full_unstemmed | Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| title_short | Investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| title_sort | investigation of fractional compartmental models in pharmacokinetics with application to amiodarone drug diffusion |
| topic | Fractional calculus Pharmacokinetics Grunwald–Letnikov derivative Compartmental models |
| url | http://www.sciencedirect.com/science/article/pii/S246822762500170X |
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