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 108 Matches

Cholesterol_4beta-hydroxycholesterol_RES_V23_Simcyp_20240930

The 4β-hydroxycholesterol (4β-OHC) file is an endogenous biomarker for CYP3A activity mainly measured to evaluated potential CYP3A induction in vivo. The 4β-OHC file was developed as a primary metabolite of the parent compound, cholesterol. As the compound requires specific system parameter inputs for endogenous CYP abundance scaling, the parent-metabolite file is available within a workspace containing the required system parameters. The parent-metabolite file has been developed in the Simcyp Simulator V23 and details of the file performance are described in Karkhanis et al., 2024 (PMID 39458613) and in a compound summary that provides the key pharmacokinetic features of cholesterol and 4β-OHC considered within the model.

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209
PBPK model of Hydroxychloroquine and its metabolite of Desethyl-hydroxychloroquine. This file is a further development of the file for Hydroxychloroquine (V18R1) also available within this database: In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) - PubMed (nih.gov)
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/
Cholesterol_4beta-hydroxycholesterol_RES_V23_Simcyp_240930

The 4β-hydroxycholesterol (4β-OHC) file is an endogenous biomarker for CYP3A activity mainly measured to evaluated potential CYP3A induction in vivo. 4β-OHC file was developed as a primary metabolite of parent compound, cholesterol. 


This document provides: 
1. Examples of model performance
2. A summary of the key pharmacokinetic features of cholesterol and 4β-OHC considered within the model

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