Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione.

@article{Hughes2015SiteOR,
  title={Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione.},
  author={Tyler B. Hughes and Grover P. Miller and Sanjay Joshua Swamidass},
  journal={Chemical research in toxicology},
  year={2015},
  volume={28 4},
  pages={797-809}
}
Drug toxicity is often caused by electrophilic reactive metabolites that covalently bind to proteins. Consequently, the quantitative strength of a molecule's reactivity with glutathione (GSH) is a frequently used indicator of its toxicity. Through cysteine, GSH (and proteins) scavenges reactive molecules to form conjugates in the body. GSH conjugates to specific atoms in reactive molecules: their sites of reactivity. The value of knowing a molecule's sites of reactivity is unexplored in the… CONTINUE READING
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