phubpk: pharmacokinetics on the pharmahub stephen d. stamatis 1, michael j. mclennan 2, and lee e....
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pHUBpk: Pharmacokinetics on the pharmaHUBStephen D. Stamatis1, Michael J. McLennan2, and Lee E. Kirsch1
HUBbub 20131The University of Iowa College of Pharmacy2Purdue University
2
pharmaHUB
100 other
NIPTE-FDA
ExcipientsKnowledge Base
22 simulation tools
Collaboration forPharmaceutical
Engineering and Science
$1.9M NSF CDI awardPurdue University
Rutgers UniversityUniversity of Iowa
23,000Users Worldwide
3
Research Education
pharmaHUB CommunityTools Supporting Resources
ReviewsReviews
Tags
Crystallization
Particle Size Distribution
Dissolution
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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
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UserInputs
Drug
Properties
Delivery
Mode
Patient
Propertie
s
WBPBPKCalculator
Art
eri
al B
lood
Ven
ou
s B
lood
Lung
Non Eliminating Tissues
Liver
Kidney
GI/Portal Vein
System
Patient
Library
Graphics
Tables
DrugLibrar
y
Comp Cmax AUC
Adipose 0.8530.01
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Bone0.001
70.34
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Brain0.001
5 0.62
Kidney0.024
20.48
3
Liver 0.0240.57
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Lung0.012
80.44
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Muscle0.007
2 0.63
Skin0.004
40.29
1
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Implementation
R
Processed at runtime
GUITcl/Tk.inf
UDE
.R Driver
UDE
Substitutions at runtime
Data passed back to GUI
for rendering
Run Simulation
All code runs on the
PharmaHUB
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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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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