ArticleEnvironmental health perspectives2016
Mechanism Profiling of Hepatotoxicity Caused by Oxidative Stress Using Antioxidant Response Element Reporter Gene Assay Models and Big Data.
Article in Environmental health perspectives, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.
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Who cites it
45 citing papers in PubMed.
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- Associations between exposure to cadmium, lead, mercury and mixtures and women's infertility and long-term amenorrhea.Archives of public health = Archives belges de sante publique · 2023Article
- Integrating Concentration-Dependent Toxicity Data and Toxicokinetics To Inform Hepatotoxicity Response Pathways.Environmental science & technology · 2023Article
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- Data-Driven Quantitative Structure-Activity Relationship Modeling for Human Carcinogenicity by Chronic Oral Exposure.Environmental science & technology · 2023Article
- Mechanism-driven modeling of chemical hepatotoxicity using structural alerts and an in vitro screening assay.Journal of hazardous materials · 2022Article
- Predicting Prenatal Developmental Toxicity Based On the Combination of Chemical Structures and Biological Data.Environmental science & technology · 2022Article
- High-Throughput Screening Assay Profiling for Large Chemical Databases.Methods in molecular biology (Clifton, N.J.) · 2022Article
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- Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors.Pharmaceuticals (Basel, Switzerland) · 2021Article
- Revealing Adverse Outcome Pathways from Public High-Throughput Screening Data to Evaluate New Toxicants by a Knowledge-Based Deep Neural Network Approach.Environmental science & technology · 2021Article
- Construction of a Virtual Opioid Bioprofile: A Data-Driven QSAR Modeling Study to Identify New Analgesic Opioids.ACS sustainable chemistry & engineering · 2021Article
- Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction.Environmental science & technology · 2020Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
backgroundHepatotoxicity accounts for a substantial number of drugs being withdrawn from the market. Using traditional animal models to detect hepatotoxicity is expensive and time-consuming. Alternative in vitro methods, in particular cell-based high-throughput screening (HTS) studies, have provided the research community with a large amount of data from toxicity assays. Among the various assays used to screen potential toxicants is the antioxidant response element beta lactamase reporter gene assay (ARE-bla), which identifies chemicals that have the potential to induce oxidative stress and was used to test > 10,000 compounds from the Tox21 program.
objectiveThe ARE-bla computational model and HTS data from a big data source (PubChem) were used to profile environmental and pharmaceutical compounds with hepatotoxicity data.
methodsQuantitative structure-activity relationship (QSAR) models were developed based on ARE-bla data. The models predicted the potential oxidative stress response for known liver toxicants when no ARE-bla data were available. Liver toxicants were used as probe compounds to search PubChem Bioassay and generate a response profile, which contained thousands of bioassays (> 10 million data points). By ranking the in vitro-in vivo correlations (IVIVCs), the most relevant bioassay(s) related to hepatotoxicity were identified.
resultsThe liver toxicants profile contained the ARE-bla and relevant PubChem assays. Potential toxicophores for well-known toxicants were created by identifying chemical features that existed only in compounds with high IVIVCs.
conclusionProfiling chemical IVIVCs created an opportunity to fully explore the source-to-outcome continuum of modern experimental toxicology using cheminformatics approaches and big data sources. CITATION: Kim MT, Huang R, Sedykh A, Wang W, Xia M, Zhu H. 2016. Mechanism profiling of hepatotoxicity caused by oxidative stress using antioxidant response element reporter gene assay models and big data. Environ Health Perspect 124:634-641; http://dx.doi.org/10.1289/ehp.1509763.
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Registered trials
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