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

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: 1
Cefuroxime_V12R1_FDA_20150709
Model Files Publication
Table 1 of main paper and further discussion in supplemental file. IV only. Key feature is the use of mechanistic kidney model to simulate the effect of severe renal impairment and probenecid inhibition.
Search Score: 1
Pyrimethamine
Model Files Publication

Brand Name(s) include: Daraprim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

Model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution 
  • Full PBPK (Method 2) 

Note: Kp scalar used

  Route of Elimination
  • Non-specific hepatic metabolism (metabolizing enzymes not known)

  Perpetrator DDI
  • OCT1 and OCT2 inhibitor

  Validation

  • Three clinical studies were available for model verification.  100% of simulated Cmax and AUC were within 1.5-fold of observed and hence the model performance was deemed acceptable.

  Limitations
  • The current model does not describe enzyme specific metabolism of pyrimethamine as there are no data for specific routes of metabolism.​

The current model does not mechanistically describe the absorption of pyrimethamine as the ADAM model over-predicts the extent of absorption. Although pyrimethamine is described as well absorbed in some literature, further analysis of the IV and PO data did not support this. 

  Updates in V19
  • Updated in vitro­ data
    • fup: 0.085 -> 0.095

 

Search Score: 1
Darolutamide_RES_V21R1_Simcyp_20230615
Model Files Publication

The RES-Darolutamide_V21 model has been developed primarily as inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. Darolutamide shows dose proportional PK between 100 to 700 mg BID. It is a BSCII compound, where the metabolite is a potent BCRP-inhibitor too. Darolutamide is possibly a weak CYP3A inducer in the clinic. The back-conversion of Keto-darolutamide to Darolutamide is efficiently catalyzed via cytosolic AKR1C3 (in vitro). This back-conversion is also observed in incubations of feces under anaerobic conditions (in vitro). In the compound fit-for-purpose compound file, the back-conversion was fixed to recover the concentration time profile for the 600 mg BID as this was the dose for the reported Rosuvastatin DDI. Note that two workspaces need to be run to simulate the Darolutamide DDI and then the results have to be combined. This is due to having to switch the position of Darolutamide and rosuvastatin (limitations on functionality on inhibitory metabolite in the Simcyp Simulator currently).

Search Score: 1

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