Case Studies

Application examples of mechanistic modeling and simulation in pharma research and development

Throughout the years, Bayer has mastered many different projects and problems in the area of computational systems biology, helping our customers to generate new insight and solve their problems. Please, find below a selection of posters covering different application areas. Additional case studies are reported in the publications listed separately.


Applications of PBPK Modeling & Simulation in Pediatrics

  • Whole-Body Physiologically-Based Pharmacokinetic Modeling of Moxifloxacin to Support a Translational Approach in Pediatric Study Design (2009)
    [download, 320 kB]
  • WB-PBPK Population Modeling to Simulate the Influence of Weight and Age on the PK of a combined Oral Contraceptive Containing Drospirenone and Ethinylestradiol (2008)
    [download, 120 kB]
  • Physiology-based Versus Allometric Scaling Of Clearance In Children: A Comparison (2006)
    [download, 140 kB]
  • Using In Silico Methods For Predicting Drug Pharmacokinetics In Children (2006)  
    [download, 340 kB]
  • Prediction of Clearance in Children Using a Combined Physiology-based and Enzyme Ontogeny Approach (2005)
    [download, 300 kB]
  • Predicting Pharmacokinetics in Children using PK-Sim® (2005)
    [download, 190 kB]

Applications of PBPK Modeling & Simulation in Clinical Environment

  • Ciprofloxacin PulmoSphere® inhalation powder: A healthy volunteer study (2008)
    [download, 590 kB]
  • Physiologically-based pharmacokinetic simulations of ciprofloxacin in obese and renally impaired individuals (2006)
    [download, 130 kB]
  • Defining the role of macrophages in local moxifloxacin tissue concentrations using biopsy data and physiologically-based pharmacokinetic modelling (2006)  
    [download, 120 kB]
  • Use of a Physiology-based Whole-body Population Model to Simulate the Influence of Anthropometric-, Clearance-, and Physiological-variance on the Pharmacokinetics of Drugs (2006)
    [download, 240 kB]
  • Simulations of the dynamic itraconazole and midazolam interaction using individual coupled whole-body physiologically-based pharmacokinetic models (2006)
    [download, 150 kB]
  • Development of a Physiology-Based Population Pharmacokinetic Approach for the planning of Clinical Studies (2004)
    [download, 270 kB]

Applications of Systemic PD Modeling & Simulation in Clinical Environment

  • A mechanistic computational model of the activation of platelets by ADP, collagen, TxA2 and thrombin and its inhibition by ASA and thienopyridines (2006)
    [download, 260 kB]
  • Computational investigation of optimal dosing schedules for a switch of medication from Warfarin to direct inhibitors of vitamin K dependent factors (2006)
    [download, 110 kB]

Applications of PBPK Modeling & Simulation in Preclinical and Clinical Environment

  • PBPK-modeling as a tool for interpreting and understanding pharmacokinetics (2004)
    [download, 160 kB]
  • Examples of Pharmacokinetic Simulations with PK-Sim®: From Physico-Chemical Properties to Concentration Time Profiles (2004)
    [download, 210 kB]
  • Physiologically-based simulation model for the prediction of oral drug absorption (2001)
    [download, 110 kB]

Specialized Solutions

  • PK-Map™: A Powerful Tool for Early ADME Prediction and Visualization (2004)
    [download, 100 kB]

April 12, 2017

Two new publications regarding PBPK modeling! : A pregnancy PBPK model has been developed, and evaluated for renally cleared drugs.

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March 28, 2017

Published in npj Systems Biology and Applications: Translational learning from clinical studies predicts drug pharmacokinetics across patient populations

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December 19, 2016

New publications regarding PBPK modeling: Elderly, Isoniazid, DDI and Diabetes. In addition: A white paper regarding good practices in drug discovery and development

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October 14, 2017

ACoP8 Conference, October 15-18 2017 in Florida

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June 25, 2017

14th European ISSX Meeting, June 26-29 2017 in Cologne

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June 05, 2017

PAGE Meeting 2017, June 06-09, Budapest, Hungary

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