AIMC Topic: Ether-A-Go-Go Potassium Channels
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GraphDeep-hERG: Graph Neural Network PharmacoAnalytics for Assessing hERG-Related Cardiotoxicity.
Pharmaceutical research
Mar 26, 2025
PURPOSE: The human Ether-a-go-go Related-Gene (hERG) encodes rectifying potassium channels that play a significant role during action potential repolarization of cardiomyocytes. Blockade of the hERG channel by off-target drugs can lead to long QT syn...
hERGBoost: A gradient boosting model for quantitative IC prediction of hERG channel blockers.
Computers in biology and medicine
Nov 16, 2024
The human ether-a-go-go-related gene (hERG) potassium channel is pivotal in drug discovery due to its susceptibility to blockage by drug candidate molecules, which can cause severe cardiotoxic effects. Consequently, identifying and excluding potentia...
Machine learning and deep learning approaches for enhanced prediction of hERG blockade: a comprehensive QSAR modeling study.
Expert opinion on drug metabolism & toxicology
Jul 10, 2024
BACKGROUND: Cardiotoxicity is a major cause of drug withdrawal. The hERG channel, regulating ion flow, is pivotal for heart and nervous system function. Its blockade is a concern in drug development. Predicting hERG blockade is essential for identify...
In silico prediction of hERG blockers using machine learning and deep learning approaches.
Journal of applied toxicology : JAT
May 6, 2023
The human ether-à-go-go-related gene (hERG) is associated with drug cardiotoxicity. If the hERG channel is blocked, it will lead to prolonged QT interval and cause sudden death in severe cases. Therefore, it is important to evaluate the hERG-blocking...
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations.
Journal of chemical information and modeling
Nov 16, 2020
Drug-induced cardiotoxicity is a potentially lethal and yet one of the most common side effects with the drugs in clinical use. Most of the drug-induced cardiotoxicity is associated with an off-target pharmacological blockade of K currents carried ou...
The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis.
Molecules (Basel, Switzerland)
Jun 4, 2020
Human ether-a-go-go-related gene (hERG) potassium channel blockage by small molecules may cause severe cardiac side effects. Thus, it is crucial to screen compounds for activity on the hERG channels early in the drug discovery process. In this study,...
Classification of drug-induced hERG potassium-channel block from electrocardiographic T-wave features using artificial neural networks.
Annals of noninvasive electrocardiology : the official journal of the International Society for Holter and Noninvasive Electrocardiology, Inc
Jul 26, 2019
BACKGROUND: Human ether-à-go-go-related gene (hERG) potassium-channel block represents a harmful side effect of drug therapy that may cause torsade de pointes (TdP). Analysis of ventricular repolarization through electrocardiographic T-wave features ...
Computational determination of hERG-related cardiotoxicity of drug candidates.
BMC bioinformatics
May 29, 2019
BACKGROUND: Drug candidates often cause an unwanted blockage of the potassium ion channel of the human ether-a-go-go-related gene (hERG). The blockage leads to long QT syndrome (LQTS), which is a severe life-threatening cardiac side effect. Therefore...
Deep Learning-Based Prediction of Drug-Induced Cardiotoxicity.
Journal of chemical information and modeling
Feb 15, 2019
Blockade of the human ether-à-go-go-related gene (hERG) channel by small molecules induces the prolongation of the QT interval which leads to fatal cardiotoxicity and accounts for the withdrawal or severe restrictions on the use of many approved drug...
Development of models for predicting Torsade de Pointes cardiac arrhythmias using perceptron neural networks.
BMC bioinformatics
Dec 28, 2017
BACKGROUND: Blockage of some ion channels and in particular, the hERG (human Ether-a'-go-go-Related Gene) cardiac potassium channel delays cardiac repolarization and can induce arrhythmia. In some cases it leads to a potentially life-threatening arrh...
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