Litcius/Paper detail

The virtual assay software for human in silico drug trials to augment drug cardiac testing

Elisa Passini, Xin Zhou, Cristian Trovato, Oliver J. Britton, Alfonso Bueno‐Orovio, Blanca Rodríguez

2020Journal of Computational Science41 citationsDOIOpen Access PDF

Abstract

Prediction of drug effects on the heart still represents a challenge in drug development, given potential adverse outcomes. Computer modelling and simulations of the human heart offer a powerful technology to augment existing animal and clinical methodologies. Here we describe the translation process that led to the development and uptake of Virtual Assay, a user-friendly software to perform in silico drug trials in population of human cardiac models. Through this work, we contributed to the uptake of in silico modelling and simulations in industry and regulatory paradigms, and demonstrated accurate and mechanistic predictions of drug-induced cardiac pro-arrhythmic toxicity.

Topics & Concepts

In silicoDrugDrug developmentComputer scienceVirtual screeningDrug toxicitySoftwareHuman heartBioinformaticsComputational biologyDrug discoveryRisk analysis (engineering)PharmacologyMedicineBiologyInternal medicineBiochemistryGeneProgramming languageCardiac electrophysiology and arrhythmiasReceptor Mechanisms and SignalingComputational Drug Discovery Methods