ArticleBioorganic & medicinal chemistry letters2013
Are hERG channel blockers also phospholipidosis inducers?
Article in Bioorganic & medicinal chemistry letters, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- The nematode Caenorhabditis elegans has a cationic amphiphilic drug (CAD) defense system.PLoS biology · 2026Article
- Synthesis of β-fluoropyrrolidines designed to reduce hERG affinity in a class of antiparasitic compounds.ChemistrySelect · 2025Article
- Intranasal Administration of Bedaquiline-Loaded Fucosylated Liposomes Provides Anti-Tubercular Activity while Reducing the Potential for Systemic Side Effects.ACS infectious diseases · 2024Article
- Repurposing drugs as COVID-19 therapies: A toxicity evaluation.Drug discovery today · 2022Review
- ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities.Journal of chemical information and modeling · 2021Article
- Deep Graph Learning with Property Augmentation for Predicting Drug-Induced Liver Injury.Chemical research in toxicology · 2021Article
- Psychotropics drugs with cationic amphiphilic properties may afford some protection against SARS-CoV-2: A mechanistic hypothesis.Psychiatry research · 2020Article
- Use of 3D Human Liver Organoids to Predict Drug-Induced Phospholipidosis.International journal of molecular sciences · 2020Article
- Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities.Frontiers in pharmacology · 2018Article
- Comparing structural and transcriptional drug networks reveals signatures of drug activity and toxicity in transcriptional responses.NPJ systems biology and applications · 2017Article
- Inhibition of HERG potassium channels by domiphen bromide and didecyl dimethylammonium bromide.European journal of pharmacology · 2014Article
- Identification of hepatic phospholipidosis inducers in sandwich-cultured rat hepatocytes, a physiologically relevant model, reveals altered basolateral uptake and biliary excretion of anionic probe substrates.Toxicological sciences : an official journal of the Society of Toxicology · 2014Article
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Authors and funding
6 authors.
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Abstract
Both pharmacophore models of the human ether-à-go-go-related gene (hERG) channel blockers and phospholipidosis (PLD) inducers contain a hydrophobic moiety and a hydrophilic motif/positively charged center, so it is interesting to investigate the overlap between the ligand chemical spaces of both targets. We have assayed over 4000 non-redundant drug-like compounds for both their hERG inhibitory activity and PLD inducing potential in a quantitative high throughput screening (qHTS) format. Seventy-seven percent of PLD inducing compounds identified from the screening were also found to be hERG channel blockers, and 96.9% of the dually active compounds were positively charged. Among the 48 compounds that induced PLD without inhibiting hERG channel, 24 compounds (50.0%) carried steroidal structures. According to our results, hERG channel blockers and PLD inducers share a large chemical space. In addition, a positively charged hERG channel blocker will most likely induce PLD, while a steroid PLD inducer is less likely a hERG channel blocker.
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