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Tox21-Based Comparative Analyses for the Identification of Potential Toxic Effects of Environmental Pollutants
Yang, Renjun; Liu, Shuyu; Yin, Nuoya; Zhang, Yang; Faiola, Francesco
2022-09-20
Source PublicationENVIRONMENTAL SCIENCE & TECHNOLOGY
ISSN0013-936X
Issue0Pages:1-12
AbstractChemical pollution has become a prominent environ-mental problem. In recent years, quantitative high-throughput screening (qHTS) assays have been developed for the fast assessment of chemicals' toxic effects. Toxicology in the 21st Century (Tox21) is a well-known and continuously developing qHTS project. Recent reports utilizing Tox21 data have mainly focused on setting up mathematical models for in vivo toxicity predictions, with less attention to intuitive qHTS data visualization. In this study, we attempted to reveal and summarize the toxic effects of environmental pollutants by analyzing and visualizing Tox21 qHTS data. Via PubMed text mining, toxicity/ structure clustering, and manual classification, we detected a total of 158 chemicals of environmental concern (COECs) from the Tox21 library that we classified into 13 COEC groups based on structure and activity similarities. By visualizing these COEC groups' bioactivities, we demonstrated that COECs frequently displayed androgen and progesterone antagonistic effects, xenobiotic receptor agonistic roles, and mitochondrial toxicity. We also revealed many other potential targets of the 13 COEC groups, which were not well illustrated yet, and that current Tox21 assays may not correctly classify known teratogens. In conclusion, we provide a feasible method to intuitively understand qHTS data.
Department环境化学与生态毒理学国家重点实验室 ; 环境化学与生态毒理学国家重点实验室
KeywordORGANOPHOSPHATE FLAME RETARDANTS ESTROGEN-RECEPTOR IN-VIVO REPRODUCTIVE DEVELOPMENT TETRABROMOBISPHENOL-A ANDROGEN RECEPTOR ER-BETA PESTICIDES ATRAZINE XENOBIOTICS
Document Type期刊论文
Identifierhttps://ir.rcees.ac.cn/handle/311016/47636
Collection环境化学与生态毒理学国家重点实验室
Corresponding AuthorFaiola, Francesco
Affiliation1.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China
2.Univ Chinese Acad Sci, Coll Resources & Environm, Beijing 100049, Peoples R China
3.Univ Cambridge, Dept Pathol, CRUK Gurdon Inst, Wellcome Trust, Cambridge CB2 1QN, England
4.Capital Med Univ, Beijing Friendship Hosp, Dept Pharm, Beijing 100050, Peoples R China
Recommended Citation
GB/T 7714
Yang, Renjun,Liu, Shuyu,Yin, Nuoya,et al. Tox21-Based Comparative Analyses for the Identification of Potential Toxic Effects of Environmental Pollutants[J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY,2022(0):1-12.
APA Yang, Renjun,Liu, Shuyu,Yin, Nuoya,Zhang, Yang,&Faiola, Francesco.(2022).Tox21-Based Comparative Analyses for the Identification of Potential Toxic Effects of Environmental Pollutants.ENVIRONMENTAL SCIENCE & TECHNOLOGY(0),1-12.
MLA Yang, Renjun,et al."Tox21-Based Comparative Analyses for the Identification of Potential Toxic Effects of Environmental Pollutants".ENVIRONMENTAL SCIENCE & TECHNOLOGY .0(2022):1-12.
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