ACEInhibPKPD

ACEInhibPKPD: An open-source MATLAB app for a pharmacokinetic/pharmacodynamic model of ACE inhibition - Published in JOSS (2017)

https://github.com/ashleefv/aceinhibpkpd

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PKPD model for ACE inhibition; educational drug dosing app for treatment of high blood pressure

README

********************************************************************************
PKPD ACE Inhibition Model
********************************************************************************
Written by Ashlee N. Ford Versypt, Grace K. Harrell, and Alexandra N. McPeak
2015-2017
School of Chemical Engineering
Oklahoma State University
Corresponding author: A. N. Ford Versypt, ashleefv@okstate.edu
********************************************************************************
Data sources for ACE inhibitor drugs:
   H. Shionoiri, S. Ueda, K. Minamisawa, Pharmacokinetics and Pharmacodynamics 
   of Benazepril in Hypertensive Patients with Normal and Impaired Renal-
   Function, Journal of Cardiovascular Pharmacology 20 (3) (1992) 34857.

   H. Shionoiri, E. Gotoh, N. Takagi, Antihypertensive Effects and 
   Pharmacokinetics of Single and Consecutive Doses of Cilazapril in 
   Hypertensive Patients with Normal and Impaired Renal-Function, Journal of 
   Cardiovascular Pharmacology 11 (2) (1988) 2429.
********************************************************************************
___MAIN FILES___

GUI_ACE_Inhib_PKPD.m & .fig
   Runs the model interactively with a graphical user interface. Designed for 
   educational use for students in grades 6-12 and undergraduate students.
 
OR
  
run_PKPD_without_GUI.m
   Runs the model manually either in the Editor or by passing arguments in the
   command line. Can run more cases that allowable in the GUI and can specify
   plot_mode to show more plots than available through GUI or to produce and 
   save publication-quality plots.
********************************************************************************
___SUPPLEMENTARY FILES___

PKPD_ACE_Inhibition_AngII.m
   The central file that uses case-specific parameters and dosing information 
   as input to the PKPD model of ACE inhibitor dose impact on AngII plasma 
   concentration. Output includes the vectors of time and the concentrations of 
   the drug, diacid form, AngI, AngII, and Renin and the percent of inhibition 
   (not in this order).
*** Don't run this file directly. Instead let it be called by either 
   call_PKPD_model_scalar.m or call_PKPD_model_vector_param_est.m
   (described subsequently) that correctly define all the input values.

setup_mat_for_PK_params.m 
   All PK parameters for the drug/renalfunction combinations are edited and 
   written to .mat files for use in other routines.

setup_mat_for_data_estimated_params.m
   All data for parameter estimation and the estimated parameters are edited and
   written to .mat files for use in other routines.
   
run_params.m
   Sets the input values that GUI_ACE_Inhib_PKPD.m sets interactively. It is
   used as a default input through a .mat file for run_PKPD_without_GUI.m and 
   param_estimation.m.

call_PKPD_model_vector_param_est.m
   Sets up parameters once before a loop through tfinal_dosing vector calling
   PKPD_ACE_Inhibition_AngII.m at each loop iteration. Output is the vector of  
   Y values used for parameter estimation comparison to data.
   
call_PKPD_model_scalar.m
   Used by GUI_ACE_Inhib_PKPD.m, run_PKPD_without_GUI.m, and param_estimation.m. 
   Sets up parameters before calling PKPD_ACE_Inhibition_AngII.m for a scalar 
   value of tfinal_dosing. Output is all of the output from 
   PKPD_ACE_Inhibition_AngII.m with options for plotting and saving figures
   through plot_mode string.
   
*.mat
   Needed to run the programs to pass data, parameters, and calculated values.
   
/pub_plots/.
   Subdirectory where plots are stored when plot_mode = 'pub_plots'
   
export_fig.m
   MATLAB package to nicely export figures.
   Download: https://www.mathworks.com/matlabcentral/fileexchange/23629-export-fig
   Tips for usage: https://github.com/altmany/export_fig/blob/master/README.md

Owner

JOSS Publication

ACEInhibPKPD: An open-source MATLAB app for a pharmacokinetic/pharmacodynamic model of ACE inhibition

Published

September 05, 2017

DOI

10.21105/joss.00340

Volume 2, Issue 17, Page 340

Authors

Ashlee N. Ford Versypt
School of Chemical Engineering, Oklahoma State University

Grace K. Harrell
School of Chemical Engineering, Oklahoma State University

Alexandra N. McPeak
School of Chemical Engineering, Oklahoma State University

Editor

Kevin M. Moerman

Tags

pharmacology biomedical engineering mathematical model MATLAB

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CodeMeta (codemeta.json)

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      "name": "Ashlee N. Ford Versypt",
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      "@type": "Person",
      "name": "Grace K. Harrell",
      "affiliation": "School of Chemical Engineering, Oklahoma State University"
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  "identifier": "https://doi.org/10.5281/zenodo.247388",
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  "datePublished": "2017-01-16",
  "dateModified": "2017-01-16",
  "dateCreated": "2017-01-16",
  "description": "This MATLAB app is an interactive computer simulation that can be used to design the best dosage of pharmaceuticals for reducing high blood pressure. The app uses concepts from chemical engineering and tools from mathematics, pharmacology, and computational science to describe and solve the the dynamics of the chemical reactions in the human body involved in the absorption, metabolism, and excretion of the drug and how the blood pressure-regulating homone angiotensin II is affected by the drug concentration as a function of time.",
  "keywords": "MATLAB, pharmacology, biomedical engineering, mathematical model",
  "license": "BSD",
  "title": "ACEInhibPKPD",
  "version": "v1.0"
}

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