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 121 Matches

Maraviroc&Telaprevir&VRT_127394_V15R1_Pfizer_20200405
Model Files Publication
http://dmd.aspetjournals.org/content/47/5/493.long Maraviroc and Telaprevir/healthy volunteer. The workspace is set up as multiple dose over 10 days to account for the MBI of Telaprevir. The metabolite of Telaprevir (VRT-127394) is included in the workspace.
Search Score: 11
Tizanidine_RES_V18R1_Simcyp_20190809
Model Files Publication

Simcyp developed tizanidine compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.

Search Score: 11
Tenofovir
Model Files Publication

Brand Name(s) include: Viread

Disease: HIV

Drug Class: Nucleoside Reverse Transcriptase Inhibitors (NRTI)

Date of Review: 2020

Number of Models Reviewed: 3

Number of Models added to the Repository: 3

The model at-a-glance

Publication 

De Sousa Mendes, M., Chetty, M. Are Standard Doses of Renally-Excreted Antiretrovirals in Older Patients Appropriate: A PBPK Study Comparing Exposures in the Elderly Population With Those in Renal Impairment. Drugs R D 19, 339–350 (2019).

 Simcyp Version

V17

 Absorption Model
  • First-Order
 Volume of Distribution Details
  • Full

 Route of Elimination
  • Renal Clearance
  • Additional non-specific clearance

 Perpetrator DDI
  • None

 Advantages and Limitations
  • Developed in healthy volunteers to extrapolate to elderly and renally impaired populations

 Model Compound Files
  • v17_res_tenofovir_simcyp_desousamendez_2019_SD.wksz
  • v17_res_tenofovir_simcyp_desousamendez_2019_young_pop.wksz
  • v17_res_tenofovir_simcyp_desousamendez_2019_elderly_pop.wksz

Publication 

Liu S N, Desta Z, Gufford B T. Probenecid‐Boosted Tenofovir: A Physiologically‐Based Pharmacokinetic Model‐Informed Strategy for On‐Demand HIV Preexposure Prophylaxis[J]. CPT: pharmacometrics& systems pharmacology, 2020, 9(1): 40- 47.

 Simcyp Version

V15

 Absorption Model
  • First-Order
 Volume of Distribution Details
  • Full

 Route of Elimination
  • Permeability-limited kidney model
  • Renal uptake into the kidney by OAT1 and OAT3
  • Renal efflux by MRP4
  • Hepatic elimination with sinusoidal uptake

 Perpetrator DDI
  • None

 Advantages and Limitations
  • Based on De Sousa Mendes (2015) paper, OAT3 kinetics added to model.
  • Model used to simulate tenofovir as a victim of probenecid DDI.

 Model Compound Files
  • v15_res_tenofovir_simcyp_Liu_2020.wksz
  • v15_res_tenofovir_simcyp_Liu_2020.cmpz

Publication 

De Sousa Mendes M, Hirt D, Urien S, Valade E, Bouazza N, Foissac F, Blanche S, Treluyer JM, Benaboud S. Physiologically-based pharmacokinetic modeling of renally excreted antiretroviral drugs in pregnant women. Br J Clin Pharmacol. 2015 Nov;80(5):1031-41.

 Simcyp Version

V13

 Published Model Application

Prediction of exposure in pregnancy

 Absorption Model
  • First-Order
 Volume of Distribution Details
  • Full

 Route of Elimination
  • Renal clearance with uptake by OAT1 and efflux by MRP4
  • Hepatic transporter clearance
  • Additional non-specific clearance

 Perpetrator DDI
  • None

 Advantages and Limitations
  • Model developed to simulate PK in pregnant women after development in healthy populations.
  • Low risk of DDI.
  • Tenofovir is administered as a rapidly hydrolyzed prodrug (Tenofovir disoproxil fumarate). The 300 mg TDF dose was implemented as a 136 mg of tenofovir. The PK of the prodrug is not considered.
  • Incorporates high degree of variability (%CV 60%) in the fraction absorbed.

 Model Compound Files
  • v13_res_tenofovir_simcyp_desousamendez_2015_1mg_kg.wksz
  • v13_res_tenofovir_simcyp_desousamendez_2015_3mg_kg.wksz
  • v13_res_tenofovir_simcyp_desousamendez_2015_PO.wksz
  • v13_res_tenofovir_simcyp_desousamendez_2015.cmpz
Search Score: 11
Tenofovir_V18R1_Simcyp_20200212
Model Files Publication
Tenofovir dispoproxil fumarate: the dose was calculated to correct for the prodrug. FO, full PBPK model with method 2 and KP scalar. Mainly renally excreted (renal clearance input, not mechanistic).
Search Score: 11

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