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.

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

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Found 83 Matches

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323

Model Files Publication

The HCQ file was developed by Peking University Third Hospital and kindly shared on our Members Area. Please cite the original reference in which the file was presented (see link to publication) and please share your simulation results ASAP. Considering the current public health situation, we are happy to coordinate the simulation efforts around this PBPK model. The submitted compound file for HCQ is using first order absorption model, full-PBPK, Method 2. Perfusion limited lung model was developed. Additional organ was defined as lung and changed the tissue blood rate flow as 0.2. Clearance of HLM was estimated based on fm. It has been verified with a Caucasian healthy volunteer population library that was unmodified from the Sim-Healthy Volunteer library file. Please note a custom dosing for 5 days has been included in the file. https://pubmed.ncbi.nlm.nih.gov/32150618/

Search Score: 2

Hyperforin_V17R1_UniversityOfSydney_20190131

Model Files Publication

The submitted compound file describes the PBPK model for hyperforin (from St John's wort extract). The PBPK model implements first-order absorption model, full-PBPK (method 2) for its distribution and total CLint in HLM (whole organ metabolic clearance) calculated by the retrograde approach. The model accounts for the induction of CYP3A4, 2C9 and 2C19. It has been verified using the healthy population library available in Simcyp SImulator by default. The predictive performance of this model to predict herb-drug interactions with St John's wort was evaluated across a range of CYP substrates as detailed in the publication. https://link.springer.com/article/10.1007%2Fs40262-019-00736-6

Search Score: 2

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209

Model Files Publication

PBPK model of Hydroxychloroquine and its metabolite of Desethyl-hydroxychloroquine. This file is a further development of the file for Hydroxychloroquine (V18R1) also available within this database: In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) - PubMed (nih.gov)

Search Score: 2

Quinine

Model Files Publication

Brand Name(s) include: Qualaquin

Disease: Malaria

Drug Class: Antimalarials

Date Updated: 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Minimal PBPK (Method 1)
Route of Elimination	CYP3A4 (fm = 0.50); renal clearance (fe = 0.1)
Perpetrator DDI	CYP2D6 Inhibitor
Validation	Three clinical studies describing Quinine PK were identified for model verification. Three clinical DDI studies where quinine was the victim of CYP-mediated DDIs were used to verify the PBPK model. All studies were well recovered with simulated Cmax and AUC GMRs within 1.5-fold of the observed
Limitations	The Simcyp quinine PBPK model was able to recover interactions CYP3A inducers and inhibitors with reasonable accuracy. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time.
Updates in V19	Updated in vitrodata fup: 0.199 -> 0.37 Caco-2 A -> B Permeability: 70 x 10-6 cm/s -> 39 x 10-6 cm/s Propranolol reference Permeability: 101 x 10-6 cm/s -> 45 x 10-6 cm/s Minimal PBPK with Vss predicted through Method 1 Updated retrograde clearance

Search Score: 1

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Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323

Hyperforin_V17R1_UniversityOfSydney_20190131

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209

Quinine

The model at-a-glance

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