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

Brand Name(s) include: Selzentry

Disease: HIV

Drug Class: HIV Entry and Fusion Inhibitor

Date of Review: 2020

Number of Models Reviewed: 3

Number of Models added to the Repository: 1

The model at-a-glance

 Publication

Kimoto, E., Vourvahis, M., Scialis, R. J., Eng, H., Rodrigues, A. D., & Varma, M. V. S. (2019). Mechanistic Evaluation of the Complex Drug-Drug Interactions of Maraviroc: Contribution of Cytochrome P450 3A, P-Glycoprotein and Organic Anion Transporting Polypeptide 1B1. Drug metabolism and disposition: the biological fate of chemicals, 47(5), 493–503.

 Simcyp Version

V15

 Published Model Application

DDI prediction

 Absorption Model

ADAM; includes P-gp in the intestines

 Volume of Distribution Details

Full PBPK

 Route of Elimination

  • CYP3A4
  • Renal clearance
  • Includes hepatic biliary clearance by OATP1B1

 Advantages and Limitations

  • Model was developed to evaluate DDI of maraviroc as victim.
  • Model was verified with IV and oral data.
  • Model was verified as a victim of interactions with ketoconazole, ritonavir, efavirenz and rifampin

 Model Compound Files

  • v15_res_maraviroc_simcyp_kimoto
  • v15_res_maraviroc_simcyp_kimoto_iv_3mg
  • v15_res_maraviroc_simcyp_kimoto_iv_10mg
  • v15_res_maraviroc_simcyp_kimoto_iv_30mg
  • v15_res_maraviroc_simcyp_kimoto_po_150mg_bid
Darunavir PBPK Model Review 2020
Darunavir_PBPK_Model_review_2020
Adefovir_V15R1_USFDA_20170810
http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Adefovir compound in healthy volunteers. Hsueh et al evaluating the effect of renal impairment on PK of OAT substrates. 30/07/2019: The Adefovir PBPK model was submitted with the setting as Hepatocyte Clearance input in the WOMC option. To allow DDI simulations the file should be set up in the Enzyme Kinetics option by moving the Hepatocyte clearance value into the Additional Clearance (Liver) subtab under the Enzyme Kinetics section.
Olaparib_V16R1_AstraZeneca_20190717
Compound file from publication: Physiologically Based Pharmacokinetic Modeling for Olaparib Dosing Recommendations: Bridging Formulations, Drug Interactions, and Patient Populations Pilla Reddy, V., Bui, K., Scarfe, G., Zhou, D., Learoyd, M. (2018). Clinical Pharmacology and Therapeutics. https://doi.org/10.1002/cpt.1103 https://ascpt.onlinelibrary.wiley.com/doi/10.1002/cpt.1103 Note: The file is for the tablet form (Table 5 of the paper). The UGT1A1 Ki value of 48.4 µM is currently not included in the file.

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