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In Silico Clinical Trials for Cardiovascular Disease
Published on: May 27, 2022
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A web portal for in-silico action potential predictions
Geoff Williams1, Gary R Mirams1
1Computational Biology, Dept. of Computer Science, University of Oxford, Oxford OX1 3QD, UK.
Journal of Pharmacological and Toxicological Methods
|May 13, 2015
Summary
This study introduces an open-source web portal for cardiac electrophysiology simulations, predicting drug effects on ion channels to assess pro-arrhythmic risk. The tool aids safety pharmacology in drug discovery.
Area of Science:
- Computational Biology
- Pharmacology
- Cardiovascular Research
Background:
- Pharmaceutical compounds can block cardiac ion channels, posing risks to cardiac safety.
- Automated patch clamp assays measure compound effects on individual ion currents.
- In-silico action potential models can predict integrated compound effects on whole-cell electrophysiology and pro-arrhythmic risk.
Purpose of the Study:
- To develop and provide an open-source software tool for cardiac electrophysiology simulations.
- To predict the effects of compounds blocking multiple cardiac ion channels (IKr, ICaL, INa, IKs, IK1, Ito).
- To create a user-friendly web portal for safety pharmacology teams to easily run and evaluate these simulations.
Main Methods:
- Developed open-source software for cardiac electrophysiology simulations.
- Utilized a choice of mathematical electrophysiology models.
- Created an open-source web portal interface for the simulator.
Main Results:
- The web portal allows users to input compound affinities for ion channels (IC50 or pIC50).
- Users can run simulations, store results, view summary graphs, and export data.
- The portal is accessible at https://chaste.cs.ox.ac.uk/ActionPotential.
Conclusions:
- The web portal offers a simple interface to validated mathematical models and solvers.
- It grants safety teams accessible use of cardiac electrophysiology simulation technology.
- This facilitates improved pro-arrhythmic risk assessment in the drug discovery process.
Keywords:
Action potentialCardiac safetyCompound screeningHigh-throughputMathematical modelOpen sourceMore Related Videos
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