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ERG1 Potassium Channel

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Prediction of hERG potassium channel blockage using ensemble learning methods and molecular fingerprints.

Toxicology letters 32629073
The human ether-a-go-go-related gene (hERG) encodes a tetrameric potassium channel called Kv11.1. This channel can be blocked by certain drugs, which leads to long QT syndrome, causing cardiotoxicity. This is a significant problem during drug develop...
Algorithms Animals Area Under Curve Cardiotoxicity CHO Cells Cricetinae Cricetulus Databases, Factual ERG1 Potassium Channel Humans Machine Learning Models, Molecular Peptide Mapping Potassium Channel Blockers Predictive Value of Tests Support Vector Machine
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Machine learning models for classification tasks related to drug safety.

Molecular diversity 34110577
In this review, we outline the current trends in the field of machine learning-driven classification studies related to ADME (absorption, distribution, metabolism and excretion) and toxicity endpoints from the past six years (2015-2021). The study fo...
Algorithms Drug Design Drug-Related Side Effects and Adverse Reactions ERG1 Potassium Channel Humans Machine Learning Models, Molecular Neural Networks, Computer Pharmacokinetics Quantitative Structure-Activity Relationship Support Vector Machine Tissue Distribution
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Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches.

Science China. Life sciences 34319533
Artificial intelligence (AI) models usually require large amounts of high-quality training data, which is in striking contrast to the situation of small and biased data faced by current drug discovery pipelines. The concept of federated learning has ...
Algorithms Artificial Intelligence Datasets as Topic Drug Discovery ERG1 Potassium Channel
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A deep learning algorithm to translate and classify cardiac electrophysiology.

eLife 34212860
The development of induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs) has been a critical in vitro advance in the study of patient-specific physiology, pathophysiology, and pharmacology. We designed a new deep learning multitask network ...
Action Potentials Algorithms Cell Differentiation Computer Simulation Deep Learning Electrophysiologic Techniques, Cardiac Electrophysiological Phenomena ERG1 Potassium Channel Gene Expression Regulation Humans Induced Pluripotent Stem Cells Models, Biological Myocytes, Cardiac Phenethylamines Sulfonamides
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TSSF-hERG: A machine-learning-based hERG potassium channel-specific scoring function for chemical cardiotoxicity prediction.

Toxicology 34757159
The human ether-à-go-go-related gene (hERG) encodes the Kv11.1 voltage-gated potassium ion (K) channel that conducts the rapidly activating delayed rectifier current (I) in cardiomyocytes to regulate the repolarization process. Some drugs, as blocker...
Algorithms Cardiotoxicity ERG1 Potassium Channel Humans Machine Learning Molecular Docking Simulation Potassium Channel Blockers Protein Binding
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CardioDPi: An explainable deep-learning model for identifying cardiotoxic chemicals targeting hERG, Cav1.2, and Nav1.5 channels.

Journal of hazardous materials 38805819
The cardiotoxic effects of various pollutants have been a growing concern in environmental and material science. These effects encompass arrhythmias, myocardial injury, cardiac insufficiency, and pericardial inflammation. Compounds such as organic so...
Calcium Channels, L-Type Cardiotoxicity Cardiotoxins Deep Learning ERG1 Potassium Channel Humans NAV1.5 Voltage-Gated Sodium Channel
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hERGBoost: A gradient boosting model for quantitative IC prediction of hERG channel blockers.

Computers in biology and medicine 39550914
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...
Algorithms Drug Discovery ERG1 Potassium Channel Ether-A-Go-Go Potassium Channels Humans Inhibitory Concentration 50 Machine Learning Potassium Channel Blockers
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GraphDeep-hERG: Graph Neural Network PharmacoAnalytics for Assessing hERG-Related Cardiotoxicity.

Pharmaceutical research 40140128
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...
Action Potentials Algorithms Cardiotoxicity Computer Simulation Deep Learning ERG1 Potassium Channel Ether-A-Go-Go Potassium Channels Graph Neural Networks Humans Machine Learning Neural Networks, Computer Potassium Channel Blockers
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