pHUBpk: Pharmacokinetics on the pharmaHUBStephen D. Stamatis1, Michael J. McLennan2, and Lee E. Kirsch1

HUBbub 20131The University of Iowa College of Pharmacy2Purdue University

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pharmaHUB

100 other

NIPTE-FDAExcipients

Knowledge Base

22 simulation tools

Collaboration forPharmaceutical

Engineering and Science

$1.9M NSF CDI awardPurdue University

Rutgers UniversityUniversity of Iowa

23,000Users Worldwide

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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

Arte

rial

Blo

od

Veno

us 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

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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

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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

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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