scholarly journals In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk

2018 ◽  
Vol 58 (4) ◽  
pp. 867-878 ◽  
Author(s):  
Lucia Romero ◽  
Jordi Cano ◽  
Julio Gomis-Tena ◽  
Beatriz Trenor ◽  
Ferran Sanz ◽  
...  
Keyword(s):  
In Silico ◽  
Early Screening ◽  
Drug Induced ◽  
Proarrhythmic Risk

Estimation of uncertainty in multi-level in silico models predicting biomarkers of drug-induced proarrhythmic risk

2021 ◽  
Vol 350 ◽  
pp. S64-S65
Author(s):  
K. Kopanska ◽  
J.C. Gómez-Tamayo ◽  
J. Llopis-Lorente ◽  
B.A. Trenor-Gomis ◽  
J. Sáiz ◽  
...  
Keyword(s):  
In Silico ◽  
Drug Induced ◽  
Proarrhythmic Risk ◽  
Multi Level ◽  
In Silico Models ◽  
Estimation Of Uncertainty

Evaluation of four in silico biomarkers for drug-induced proarrhythmic risk: COVID-19 off-label therapies case study

2021 ◽  
Vol 111 ◽  
pp. 107052
Author(s):  
Elisa Passini ◽  
Xin Zhou ◽  
Cristian Trovato ◽  
Annie Delaunois ◽  
Jean-Pierre Valentin ◽  
...  
Keyword(s):  
In Silico ◽  
Drug Induced ◽  
Off Label ◽  
Proarrhythmic Risk

In silico classifier for early screening of drug-induced torsadogenic risk

2020 ◽  
Vol 105 ◽  
pp. 106801
Author(s):  
Jordi Llopis Lorente ◽  
Jordi Cano García ◽  
Julio Gomis-Tena Dolz ◽  
Lucía Romero Pérez ◽  
Ferran Sanz Carreras ◽  
...  
Keyword(s):  
In Silico ◽  
Early Screening ◽  
Drug Induced

In silico assessment of drug-induced liver injury in humans

2016 ◽  
Vol 258 ◽  
pp. S118
Author(s):  
C. Yang ◽  
S. Thakkar ◽  
A. Mostrag ◽  
V. Gombar ◽  
B. Bienfait ◽  
...  
Keyword(s):  
Liver Injury ◽  
In Silico ◽  
Drug Induced ◽  
Drug Induced Liver Injury

In Silico Approaches to Study Drug-induced Renal Toxicity

Kidney ◽  
2013 ◽  
pp. 103-120
Author(s):  
Rajiv Govindaraj ◽  
Prasannavenkatesh Durai ◽  
Sangdun Choi
Keyword(s):  
In Silico ◽  
Renal Toxicity ◽  
Study Drug ◽  
Drug Induced ◽  
Approaches To Study

scholarly journals Modulating the voltage sensor of a cardiac potassium channel shows antiarrhythmic effects

2021 ◽  
Author(s):  
Yangyang Lin ◽  
Sam Z. Grinter ◽  
Zhongju Lu ◽  
Xianjin Xu ◽  
Hong Zhan Wang ◽  
...  
Keyword(s):  
Action Potential ◽  
In Silico ◽  
Therapeutic Efficacy ◽  
Torsade De Pointes ◽  
Computational Prediction ◽  
Chemical Library ◽  
Drug Induced ◽  
Voltage Dependent ◽  
Life Threatening ◽  
Approved Drugs

AbstractCardiac arrhythmias are the most common cause of sudden cardiac death worldwide. Lengthening the ventricular action potential duration (APD) either congenitally or via pathologic or pharmacologic means, predisposes to a life-threatening ventricular arrhythmia, Torsade de Pointes. IKs, a slowly activating K+ current plays a role in action potential repolarization. In this study, we screened a chemical library in silico by docking compounds to the voltage sensing domain (VSD) of the IKs channel. Here we show that C28 specifically shifted IKs VSD activation in ventricle to more negative voltages and reversed drug-induced lengthening of APD. At the same dosage, C28 did not cause significant changes of the normal APD in either ventricle or atrium. This study provides evidence in support of a computational prediction of IKs VSD activation as a potential therapeutic approach for all forms of APD prolongation. This outcome could expand the therapeutic efficacy of a myriad of currently approved drugs that may trigger arrhythmias.Significance statementC28, identified by in silico screening, specifically facilitated voltage dependent activation of a cardiac potassium ion channel, IKs. C28 reversed drug-induced prolongation of action potentials, but minimally affected the normal action potential at the same dosage. This outcome supports a computational prediction of modulating IKs activation as a potential therapy for all forms of action potential prolongation, and could expand therapeutic efficacy of many currently approved drugs that may trigger arrhythmias.

In silico QT assay for preclinical assessment of drug-induced proarrhythmicity

2018 ◽  
Vol 93 ◽  
pp. 142
Author(s):  
Lucía Romero ◽  
Jordi Cano ◽  
Julio Gomis-Tena ◽  
Beatriz Trenor ◽  
Ferran Sanz ◽  
...  
Keyword(s):  
In Silico ◽  
Drug Induced

scholarly journals Drug-induced diabetes type 2: In silico study involving class B GPCRs

PLoS ONE ◽  
2019 ◽  
Vol 14 (1) ◽  
pp. e0208892 ◽  
Author(s):  
Dorota Latek ◽  
Ewelina Rutkowska ◽  
Szymon Niewieczerzal ◽  
Judyta Cielecka-Piontek
Keyword(s):  
In Silico ◽  
Diabetes Type 2 ◽  
Diabetes Type ◽  
Drug Induced ◽  
In Silico Study ◽  
Class B
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