Results 21 to 30 of about 36,434 (294)

Drug trapping in hERG K⁺ channels: (not) a matter of drug size?

MedChemComm, 2015
The hERG cavity can trap very bulky compounds, without perturbing normal gate closure.
Tobias Linder, Harald Bernsteiner, Priyanka Saxena, Florian F. Bauer, Thomas Erker, Eugen Timin, Steffen Hering, Anna Stary‐Weinzinger   +7 more
openalex   +3 more sources

Apoptotic and senolytic effects of hERG/Eag1 channel blockers in combination with temozolomide in human glioblastoma cells. [PDF]

Naunyn Schmiedebergs Arch Pharmacol
Haas B, Roth I, Säcker L, Wos-Maganga M, Beltzig L, Kaina B.   +5 more
europepmc   +3 more sources

Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques

Frontiers in Pharmacology, 2022
Drug-induced cardiotoxicity is a common side effect of drugs in clinical use or under postmarket surveillance and is commonly due to off-target interactions with the cardiac human-ether-a-go-go-related (hERG) potassium channel.
Pietro Delre, G. Lavado, G. Lamanna, M. Saviano, A. Roncaglioni, E. Benfenati, G. Mangiatordi, Domenico Gadaleta   +7 more
semanticscholar   +1 more source

High-Throughput Chemical Screening and Structure-Based Models to Predict hERG Inhibition

Biology, 2022
Simple Summary Cardiovascular disease is the leading cause of death for people of most ethnicities in the United States. The human ether-a-go-go-related gene (hERG) potassium channel plays a pivotal role in cardiac rhythm regulation, and cardiotoxicity ...
Shagun Krishna, Alexandre Borrel, Ruili Huang, Jinghua Zhao, M. Xia, N. Kleinstreuer   +5 more
semanticscholar   +1 more source

Hydroxychloroquine induces long QT syndrome by blocking hERG channel

Frigid Zone Medicine, 2023
In March 2022, more than 600 million cases of Corona Virus Disease 2019 (COVID-19) and about 6 million deaths have been reported worldwide. Unfortunately, while effective antiviral therapy has not yet been available, chloroquine (CQ)/hydroxychloroquine ...
Zhao Xin, Sun Lihua, Chen Chao, Xin Jieru, Zhang Yan, Bai Yunlong, Pan Zhenwei, Zhang Yong, Li Baoxin, Lv Yanjie, Yang Baofeng   +10 more
doaj   +1 more source

Predicting hERG channel blockers with directed message passing neural networks

RSC Advances, 2022
Compounds with human ether-à-go-go related gene (hERG) blockade activity may cause severe cardiotoxicity. Assessing the hERG liability in the early stages of the drug discovery process is important, and the in silico methods for predicting hERG channel ...
Mengyi Shan, Chen Jiang, Jing Chen, Lu-ping Qin, Jiangjiang Qin, Gang Cheng   +5 more
semanticscholar   +1 more source

Up-regulation of hERG K⁺ channels by B-RAF. [PDF]

PLoS ONE, 2014
Human ether-a-go-go related-gene K⁺ channels (hERG) participate in the regulation of tumor cell proliferation and apoptosis. HERG channel activity is up-regulated by growth factors.
Tatsiana Pakladok, Zohreh Hosseinzadeh, Ahmad Almilaji, Aleksandra Lebedeva, Ekaterina Shumilina, Ioana Alesutan, Florian Lang   +6 more
doaj   +1 more source

Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study

Journal of Chemical Information and Modeling, 2021
Drug-induced blockade of the human ether-à-go-go-related gene (hERG) channel is today considered the main cause of cardiotoxicity in postmarketing surveillance.
T. Creanza, Pietro Delre, N. Ancona, G. Lentini, M. Saviano, G. Mangiatordi   +5 more
semanticscholar   +1 more source

Hysteretic hERG channel gating current recorded at physiological temperature

Scientific Reports, 2022
Cardiac hERG channels comprise at least two subunits, hERG 1a and hERG 1b, and drive cardiac action potential repolarization. hERG 1a subunits contain a cytoplasmic PAS domain that is absent in hERG 1b.
David K. Jones
doaj   +1 more source

CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

Journal of Cheminformatics, 2021
Motivation Ether-a-go-go-related gene (hERG) channel blockade by small molecules is a big concern during drug development in the pharmaceutical industry.
Abdul Karim, M. Lee, T. Balle, Abdul Sattar   +3 more
semanticscholar   +1 more source