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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.

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Found 107 Matches

Curcumin_Japanese_V19R1_AstraZeneca_20210726

Model Files Publication

For curcumin, the Japanese population library file from the Simcyp Human Simulator was used, and a sulfotransferase clearance pathway was incorporated as published for the curcumin PBPK model (Physiologically-Based Pharmacokinetic Predictions of the Effect of Curcumin on Metabolism of Imatinib and Bosutinib: In Vitro and In Vivo Disconnect - PubMed (nih.gov)). The curcumin model used in the publication linked is also based on this earlier published model. Fugut=1 represents worst-case scenario DDI while Fugut=0.03 represents assumption that fu,gut = fu,whole blood.

Search Score: 1

V21R1_BisphenolA_JagiellonianUniversity_20230711

Model Files Publication

The dataset can be found at the following URL: https://data.mendeley.com/datasets/t7t8kbjpyg/1

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

Primaquine

Model Files Publication

Brand Name(s) include: Jasoprim, Malirid, Neo-Quipenyl, Pimaquin, Pmq, Primachina, Primacin, Primaquina, Primaquine, Primaquine diphosphate, Primaquine Phosphate, and Remaquin

Disease: Malaria, Plasmodium vivax, Plasmodium ovale

Drug Class: Antimalarial

Related Files: Carboxyprimaquine (metabolite)

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Routes of Elimination	89% MAO (entered using ‘user-UGT’ as a surrogate in the Simulator), 11% CYP2D6
Perpetrator DDI	CYP1A2 Inhibitor (in vitro)
Validation	6 studies with single (15 to 45 mg) and multiple (15 mg QD) dosing. 100% of Cmax and AUC values within 1.5-fold. No clinical DDI studies to verify contribution of metabolic routes
Limitations	The active metabolites of primaquine have not characterized due to their instability. Therefore, a PBPK model for active metabolites cannot be developed in their own right. Qualitative data suggests a role of P-gp, however, Jmax and Km values have not been measured. There is evidence of enantiomer specific metabolism for primaquine which has not been considered in the current model.
Updates in Version 19	Updated in vitroprotein and blood binding data and subsequent back calculation of CLint (retrograde approach) f_u: 0.19 -> 0.26 B:P: 1 -> 0.82 Converted from minimal PBPK model to full PBPK model

Search Score: 1

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Curcumin_Japanese_V19R1_AstraZeneca_20210726

V21R1_BisphenolA_JagiellonianUniversity_20230711

Doxycycline

The model at-a-glance

Primaquine

The model at-a-glance

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