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 110 Matches

Dolutegravir_RES_V23R1_Simcyp_20240404

Simcyp developed dolutegravir compound file. Compound summary including an outline on the current status and limitations included.

The RES-Dolutegravir model has been developed primarily as a UGT1A1 and CYP3A4 substrate, and as an inhibitor of renal MATE1 and OCT2 transporters. MATE1 and OCT2 inhibition parameters have been optimized to capture impact of dolutegravir on metformin pharmacokinetics but have not been independently verified. In vitro observed inhibition of MATE2-K by dolutegravir has not been included as the parameter could not be optimized and verified with the substrate models and clinical data available at the time of dolutegravir model development.

Budesonide_V22R1_UniversityOfManchester_20240502

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. 200115, 45–51. 

 

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Pitavastatin_V17R1_ASTAR_20190730
The submitted compound file for Pitavastatin uses ADAM, Full PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for intestinal absorption, permeability limited liver model and MechKiM model. Tissue : Plasma partition coefficients have been modified to include data obtained from rat distribution studies. It has been used together with the unmodified Sim-Healthy Volunteer library file. https://www.altex.org/index.php/altex/article/view/1215
Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323
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/

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