Multi-scale modelling using Chaste: the PreDiCT project Alberto Corrias Computing Laboratory, Oxford University Oxford, 24th March 2009.

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Multi-scale modelling using Chaste: the PreDiCT project Alberto Corrias Computing Laboratory, Oxford University Oxford, 24th March 2009

The preDiCT project: prediction of Drug CardioToxicity University of Oxford (UK) Aureus Pharma (France) Centro di Ricerca Sviluppo e Studi Superiori in Sardegna, CRS4 (Italy) Fujitsu Laboratories Europe (UK) Glaxo SmithKline (UK) Novartis (Switzerland) F. Hoffman-La Roche (Switzerland) Szegedi Todomanyegyetem (Hungary) Universidad Politecnica de Valencia (Spain) A European joint effort between academia and industry: To provide an efficient computational framework for the study of possible adverse side effects in the early stages of drug development.

Multi-scale approach Cell model(s) Whole organ models Ionic currents From Cordeiro et al. (1998)‏ Bernabeu et al ECG

Case study 1 : Purkinje-myocardial interface Case study 2 : ECG simulations

Huelsing D, Spitzer K and Pollard A. AJP 2000 Case study 1 : Purkinje-Myocardial interface Motivation and final aim: investigate the electrotonic interactions at Purkinje-myocardial interface with realistic cell models in realistic anatomical geometries.

Case study 1 : Purkinje-Myocardial interface 3 mm 0.75 mm Noble Di Francesco cell Mahajan-Shiferaw cell A simplified situation simulating a Purkinje fibre that excites myocardial tissue. Stimulation only at Purkinje nodes

Case study 1 : Purkinje-Myocardial interface Activation of myocardium by a Purkinje fibre Activation Repolarisation

Case study 1 : Purkinje-Myocardial interface

Case study 2 : ECG forward problem Image from Malmivuo & Plonsey. “Bioelectromagnetism”. Oxford University Press, 1995

Case study 2 : ECG forward problem Heart region Bath

Case study 2 : ECG forward problem A simplified situation simulating a (small) cut ellipsoid with Faber-Rudy cell model in a (small) volume control. Cross section Stimulation of the apex of the heart

Case study 2 : ECG forward problem Heart activation (V m )Surface potentials (Φ e )

Case study 2 : ECG forward problem Cellular action potentials ECG (at the pink spot) Control HERG block Extracellular/bath potentials (Φ e )

Thank you for your attention!

From whole heart to the ECG Depolarisation: Endo to Epi Repolarisation: Epi to Endo (because of shorter APD in epicardial cells)‏ Images from Malmivuo & Plonsey. “Bioelectromagnetism”. Oxford University Press, 1995