pHUBpk: Pharmacokinetics on
the pharmaHUB
Stephen D. Stamatis1, Michael J.
McLennan2, and Lee E. Kirsch1
HUBbub 2013
1The
University of Iowa College of Pharmacy
2Purdue University
2
pharmaHUB
23,000
22 simulation tools
Users Worldwide
Collaboration for
Pharmaceutical
Engineering and Science
$1.9M NSF CDI award
Purdue University
Rutgers University
University of Iowa
NIPTE-FDA
Excipients
Knowledge Base
100 other
3
pharmaHUB Community
Tags
Tools
Supporting Resources
Crystallization
Particle Size
Distribution
Dissolution
Research
Reviews
Education
Reviews
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Pharmacokinetics
• Loosely speaking: the study of what the body does to
a drug
•
•
•
•
Absorption
Distribution
Metabolism
Excretion
• Whole Body Physiologically Based Models provide a
unique opportunity to learn about PK actively
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pHUBpk
Graphics
WBPBPK
Calculator
Drug
Lung
Delivery
Mode
Patient
Properties
Patient
Library
Venous Blood
Properties
Non
Eliminating
Tissues
Kidney
GI/Portal
Vein System
Liver
Arterial Blood
Drug
Library
Tables
Comp
Adipose
Bone
Brain
Kidney
Liver
Lung
Muscle
Skin
Cmax
0.853
0.0017
0.0015
0.0242
0.024
0.0128
0.0072
0.0044
AUC
0.017
0.346
0.62
0.483
0.573
0.446
0.63
0.291
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Implementation
UDE
Substitutions at
runtime
UDE
.inf
Processed at
runtime
.R Driver
GUI
Tcl/Tk
Run Simulation
Data passed
back to GUI for
rendering
All code runs on
the PharmaHUB
R
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UDD: Understanding Drug Distribution
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UDE: Understanding Drug Elimination
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Demo
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pKa
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Demo
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Demo
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Demo
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Demo
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Demo
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Demo
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Demo
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Concentration Time Profile
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Demo
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Demo
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Demo
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Case Comparison
• To explore and discover how the various
properties influence interface is interactive, we
allow users to compare different cases
• Cases can be different
▫ Drugs
▫ Subjects
▫ Regimens
• We highlight the differences in the case browser
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Demo
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Demo
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Demo
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Demo
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Wizards simplify
• The input libraries contain all the relevant
quantities
• There is no need to show the default values to new
users
• Similarly, new users need not be overwhelmed with
all of the output
• Instructors can use a GUI to hide fields and output
for simple laboratory class assignments
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Simplify this Tool
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Simplify this Tool
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Simplify this Tool
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Simplify this Tool
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Simplify this Tool
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Simplify this Tool
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Simplify this Tool
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Demo
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Demo
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Demo
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Summary
• http://pharmaHUB.org
▫ No cost to users
▫ Community tools
• pHUBpk
▫ A collection of active learning environments for
pharmacokinetics
▫ Users discover trends with simulated empiricism