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Quickly find freely available drug and population models in our PBPK model repository.

The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 83 Matches

5HMT_V12R2_USFDA_20160510

Model Files Publication

The Budesonide compound file was evaluated in a Crohn’s Disease (CD) population (PMID: 37765205) and two workspaces are supplied to recover the pharmacokinetic profiles published by Ludin et al. in 2001 and Wilson et al., 2017. The Crohn’s disease population is based on the population presented in PMID: 36056298 (Altered Bioavailability and Pharmacokinetics in Crohn's Disease: Capturing Systems Parameters for PBPK to Assist with Predicting the Fate of Orally Administered Drugs - PubMed (nih.gov)).

Lundin, P.; Naber, T.; Nilsson, M.; Edsbäcker, S. Effect of food on the pharmacokinetics of budesonide controlled ileal release capsules in patients with active Crohn’s disease. Aliment. Pharmacol. Ther. 2001, 15, 45–51. [Google Scholar] [CrossRef]

Wilson, A.; Tirona, R.G.; Kim, R.B. CYP3A4 activity is markedly lower in patients with Crohn’s disease. Inflamm. Bowel Dis. 2017, 23, 804–813. [Google Scholar]

Search Score: 1

DEAQ

Model Files Publication

Brand Name(s) include: N/A

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

Related Files: Amodiaquine (parent drug)

The model at-a-glance

Absorption Model	N/A
Volume of Distribution	Minimal PBPK (Method 2)
Route of Elimination	CL_PO(non-specific) and renal clearance
Perpetrator DDI	CYP2D6
Validation	Simulations based on 1 clinical study describing multiple dose exposure of DHEA and 1 DDI study where formation of DHEA was the victim of a CYP2C9 mediated DDI were both within 1.5-fold of the observed values.
Limitations	Clinical data has not been used to verify DEAQ as a perpetrator of CYP2D6-mediated DDIs
Updates in V19	Updated DEAQ Ki for CYP2D6

Search Score: 1

R-Omeprazole_V12R2_USFDA_20160714

Model Files Publication

Note: 1. fup was reported as 0.04 in our publication (http://www.ncbi.nlm.nih.gov/pubmed/24590877) without changing the cmp file (fup=0.043). 2. The compound file was developed for R-omeprazole solution 3. We also have converted V14R1 file that has been tested to generate identical results under the condition of mutual interaction with esomeprazole (Condition 2 in Table II in our publication).

Search Score: 1

Olaparib_V16R1_AstraZeneca_20190717

Model Files Publication

Compound file from publication: Physiologically Based Pharmacokinetic Modeling for Olaparib Dosing Recommendations: Bridging Formulations, Drug Interactions, and Patient Populations Pilla Reddy, V., Bui, K., Scarfe, G., Zhou, D., Learoyd, M. (2018). Clinical Pharmacology and Therapeutics. https://doi.org/10.1002/cpt.1103 https://ascpt.onlinelibrary.wiley.com/doi/10.1002/cpt.1103 Note: The file is for the tablet form (Table 5 of the paper). The UGT1A1 Ki value of 48.4 µM is currently not included in the file.

Search Score: 1

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5HMT_V12R2_USFDA_20160510

DEAQ

The model at-a-glance

R-Omeprazole_V12R2_USFDA_20160714

Olaparib_V16R1_AstraZeneca_20190717

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