2017 Volume 12 Issue 3
Article Contents

Chen Qinchang, Tan Haoyue, Shi Wei, Yu Hongxia. Application and Prospect of Computational Toxicology in Screening of Endocrine Disrupting Chemicals[J]. Asian Journal of Ecotoxicology, 2017, 12(3): 38-48. doi: 10.7524/AJE.1673-5897.20170206001
Citation: Chen Qinchang, Tan Haoyue, Shi Wei, Yu Hongxia. Application and Prospect of Computational Toxicology in Screening of Endocrine Disrupting Chemicals[J]. Asian Journal of Ecotoxicology, 2017, 12(3): 38-48. doi: 10.7524/AJE.1673-5897.20170206001

Application and Prospect of Computational Toxicology in Screening of Endocrine Disrupting Chemicals

  • Received Date: 06/02/2017
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  • Endocrine disrupting chemicals (EDCs) cause a variety of diseases, such as reproductive diseases, obesity and even cancer, by interfering with the endocrine system. However, in the face of a large number of potential endocrine disruptors in the environment, traditional in vitro and in vivo assays are difficult to achieve high throughput screening of endocrine disruptors due to their high cost and time consuming. Computational toxicology has been recommended as the screening and predicting method by the US Environmental Protection Agency (EPA), the Organization for Economic Co-operation and Development (OECD) and so on. Here, we discuss the application of computational toxicology methods, particularly molecular docking, molecular dynamics simulations and the developing adverse outcome pathway (AOP), in guiding the screening of EDCs.
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Application and Prospect of Computational Toxicology in Screening of Endocrine Disrupting Chemicals

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Abstract: Endocrine disrupting chemicals (EDCs) cause a variety of diseases, such as reproductive diseases, obesity and even cancer, by interfering with the endocrine system. However, in the face of a large number of potential endocrine disruptors in the environment, traditional in vitro and in vivo assays are difficult to achieve high throughput screening of endocrine disruptors due to their high cost and time consuming. Computational toxicology has been recommended as the screening and predicting method by the US Environmental Protection Agency (EPA), the Organization for Economic Co-operation and Development (OECD) and so on. Here, we discuss the application of computational toxicology methods, particularly molecular docking, molecular dynamics simulations and the developing adverse outcome pathway (AOP), in guiding the screening of EDCs.

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