Computational prediction models for assessing endocrine disrupting potential of chemicals

J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2018;36(4):192-218. doi: 10.1080/10590501.2018.1537132. Epub 2019 Jan 11.

Abstract

Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine function. Humans and wildlife are exposed to EDCs might alter endocrine functions through various mechanisms and lead to an adverse effects. Hence, EDCs identification is important to protect the ecosystem and to promote the public health. Leveraging in-vitro and in-vivo experiments to identify potential EDCs is time consuming and expensive. Hence, quantitative structure-activity relationship is applied to screen the potential EDCs. Here, we summarize the predictive models developed using various algorithms to forecast the binding activity of chemicals to the estrogen and androgen receptors, alpha-fetoprotein, and sex hormone binding globulin.

Keywords: Human sex hormone binding globulin; alpha-fetoprotein; androgen receptor; endocrine disrupting chemicals; estrogen receptor; quantitative structure–activity relationship.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Review

MeSH terms

  • Algorithms
  • Animals
  • Computer Simulation*
  • Endocrine Disruptors / toxicity*
  • Environmental Pollutants / toxicity*
  • Estrogens
  • Humans
  • Quantitative Structure-Activity Relationship
  • Receptors, Androgen
  • Receptors, Estrogen
  • Sex Hormone-Binding Globulin
  • Toxicity Tests / methods*
  • alpha-Fetoproteins

Substances

  • Endocrine Disruptors
  • Environmental Pollutants
  • Estrogens
  • Receptors, Androgen
  • Receptors, Estrogen
  • Sex Hormone-Binding Globulin
  • alpha-Fetoproteins