Search the PBPK Model Repository

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.

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Found 61 Matches

Azithromycin

Model Files Publication

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.04) was used in the model
Route of Elimination	No metabolism; a biliary CLint was input based on clinical data
Perpetrator DDI	None
Validation	Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.
Limitations	There are some data to suggest atovaquone is an inhibitor of BCRP. This is currently not included within the model.
Updates in V19	Updated in vitrodata LogP: 5.8 -> 8.4 Caco-2 P_app > 300 x 10-6 cm/s Propranolol Papp 101 x 10-6 cm/s Optimized ka and t_lag Converted from minimal PBPK model to full PBPK model

Search Score: 1

Budesonide_V22R1_UniversityOfManchester_20240502

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 (link). A third workspace recovers the clinical profile for Budesonide in a healthy volunteer population (Edsbäcker et al., 2004).

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.

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.

Edsbäcker S., B. Bengtsson B., Larsson P., Ludin P., Nilsson A., Ulmius J., Wollmer P., A pharmacoscintigraphic evaluation of oral budesonide given as controlled-release (Entocort) capsules. Aliment Pharmacol Ther. 2003; 17: 525–536.

Search Score: 1

Adefovir_V15R1_USFDA_20170810

Model Files Publication

http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Adefovir compound in healthy volunteers. Hsueh et al evaluating the effect of renal impairment on PK of OAT substrates. 30/07/2019: The Adefovir PBPK model was submitted with the setting as Hepatocyte Clearance input in the WOMC option. To allow DDI simulations the file should be set up in the Enzyme Kinetics option by moving the Hepatocyte clearance value into the Additional Clearance (Liver) subtab under the Enzyme Kinetics section.

Search Score: 1

Doxycycline

Model Files Publication

Brand Name(s) include: Adoxa, Doryx, Monodox, Oracea, Periostat, Vibramycin, Vibra-tabs

Disease: Malaria

Drug Class: Antibiotic

Date Updated: June 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.3) was used in the model
Route of Elimination	Biliary = 66%; Renal= 44%
Perpetrator DDI	None
Validation	Seven clinical studies describing single and multiple dose exposure of doxycycline were used to verify the PBPK model. The model predicted AUC values in 86% of studies within 2-fold (100% if one simulated/observed ratio is rounded down from 1.52 to 1.5), of which 57% were within 1.5-fold.
Limitations	Model is not verified at doses below 100 mg or about 200 mg (dose-linearity of doxycycline is uncertain) Model assumes hyclate, monohydrate and hydrochloride formulations are bioequivalent Model is not developed for the prediction of IV doxycycline Model was developed and verified primarily in healthy volunteer studies (except Newton et al. 2005); appropriateness of extrapolation to acute malaria patients is unknown
Updates in V19	Updated in vitrodata fu: 0.142 -> 0.23 B:P: 1.5 -> 0.78 Converted from minimal PBPK model to full PBPK model Elimination changed from user input IV clearance to retrograde clearance with biliary clearance and additional hepatic clearance

Search Score: 1

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Azithromycin

The model at-a-glance

Budesonide_V22R1_UniversityOfManchester_20240502

Adefovir_V15R1_USFDA_20170810

Doxycycline

The model at-a-glance

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