Herg toxicity prediction
Witryna27 sty 2016 · 1. Introduction. The human ether-a-go-go related gene (hERG) encodes a tetrameric potassium channel named Kv11.1, which plays an important role in cardiac … Witryna29 lut 2016 · DOI: 10.1039/c5tx00294j Corpus ID: 51941314; In silico prediction of hERG potassium channel blockage by chemical category approaches. …
Herg toxicity prediction
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WitrynaInhibition of hERG potassium channels may lead to long QT syndrome (LQTS), which is known as a fatal ventricular tachyarrhythmia called torsades de pointes in clinical studies [57,58]. As shown in Table 8, the toxicity profile predicted by hERG indicated that 4-PQs were non-hERG inhibitors. Moreover, the carcinogenicity assessment showed … Witryna21 cze 2024 · tive structure active relationships (QSAR) analyses have been developed to predict hERG toxicity. The availability of the recent published cryogenic electron …
WitrynaToxicity prediction was also important in the selection of a potential drug. Toxicity analysis was conducted using the ‘TOPKAT’ module in Discovery Studio 3.5 software. … Witryna4 mar 2015 · Toxicity Prediction using Deep Learning. Thomas Unterthiner, Andreas Mayr, Günter Klambauer, Sepp Hochreiter. Everyday we are exposed to various …
WitrynaCitations Banerjee P., Eckert O.A., Schrey A.K., Preissner R.: ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res (Web server issue 2024); … The human ether-à-go-go-related gene (hERG) encodes the pore-forming α-subunit of a delayed rectifier voltage-gated potassium channel called the hERG channel, which plays an important role in the potential repolarization of cardiomyocytes (Priest et al., 2008; Redfern et al., 2003). … Zobacz więcej In conclusion, we report the development of DeepHIT, which predicts hERG blockers and hERG non-blockers for input compounds. DeepHIT uses three deep learning models to achieve high NPV, which, in turn, … Zobacz więcej The chemical library used in this study was kindly provided by the Korea Chemical Bank (www.chembank.org) of Korea Research Institute of Chemical Technology. Zobacz więcej
Witryna20 lip 2015 · The notorious ligand promiscuity of this channel earmarked hERG as one of the most important anti... Skip to Article Content; Skip to Article Information; Search ...
WitrynaCollection of software modules that predict probabilities for basic toxicity endpoints. Several modules including hERG Inhibition, CYP3A4 Inhibition, Genotoxicity, Acute … helping hand westborough maWitrynaTrain algorithms with experimental data in select modules—acute toxicity, aquatic toxicity, mutagenicity, hERG inhibition, logP, logD, and pK a Add custom … helping hand wilmingtonWitryna30 cze 2014 · Raschi E, Ceccarini L, Ponti FD, Recanatini M . hERG-related drug toxicity and models for predicting hERG liability and QT prolongation. Expert Opin … helping hand wilmington ncWitryna23 mar 2024 · Drug-induced cardiotoxicity represents one of the most critical safety concerns in the early stages of drug development. The blockade of the human ether-à-go-go-related potassium channel (hERG) is the most frequent cause of cardiotoxicity, as it is associated to long QT syndrome which can lead to fatal arrhythmias. Therefore, … helping hand wichita ksWitryna5 sie 2024 · Pharmacophores are an established concept for the modelling of ligand–receptor interactions based on the abstract representations of stereoelectronic molecular features. They became widely popular as filters for the fast virtual screening of large compound libraries. A lot of effort has been put into the development of … helping hand with heartWitryna29 sie 2014 · Request PDF hERG pharmacophore models as cardiac toxicity prediction tools: Identification of channel blockers of natural origin The human ether … helping hand worldwideWitrynaThe best hERG SVM model achieved 89% accuracy and the three-best SVM models were able to screen a Pubchem data set with an accuracy of 97%. The best T. … helping hand with magnifying glass