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 112 Matches

Maraviroc
Model Files Publication

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
Search Score: 11
Cobicistat PBPK Model Review 2020
Model Files Publication
Cobicistat PBPK Model Review 2020
Search Score: 11
Selegiline&Metabolites_V18R2_Simcyp_Transdermal_20201007
Model Files Publication
PBPK model of Transdermal Selegiline along with its metabolites. Note 1: The workspace is set up to mimic the clinical data reported by Azzaro et al., Journal of Clinical Pharmacology, 2007;47:1256-1267 Pharmacokinetics and Absolute Bioavailability of Selegiline Following Treatment of Healthy Subjects With the Selegiline Transdermal System (6 mg/24 h): A Comparison With Oral Selegiline Capsules. Note 2: A 6 mg/24 h dose corresponds to the release rate from a 20 mg/20 cm2 patch. The EMSAM®, SELEGILINE TRANSDERMAL SYSTEM, drug label from November 2012 states "EMSAM systems are available in three sizes: 20 mg/20 cm2, 30 mg/30 cm2, and 40 mg/40 cm2 that deliver, on average, doses of 6 mg, 9 mg, or 12 mg, respectively, of selegiline over 24 hours."
Search Score: 11
Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005
Model Files Publication
The submitted workspace file is for Morphine and Morphine-3-glucuronide compound files, with a full PBPK distribution model, ADAM and permeability-limited liver. The model also includes enterohepatic recycling and cleavage of the glucuronide in the gut lumen. The Sim-Healthy Volunteers population library was modified with regards to the relative enzyme abundance of luminal deglucuronidation. The setting in the workspace reflects the trial design from Stuart-Harris et al., 2000. Stuart-Harris R, Joel SP, McDonald P, Currow D, Slevin ML. The pharmacokinetics of morphine and morphine glucuronide metabolites after subcutaneous bolus injection and subcutaneous infusion of morphine. Br J Clin Pharmacol 49 207-214. (2000)
Search Score: 11

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