Induced-fit docking of mometasone furoate and further evidence for glucocorticoid receptor 17alpha pocket flexibility.

@article{Wang2008InducedfitDO,
  title={Induced-fit docking of mometasone furoate and further evidence for glucocorticoid receptor 17alpha pocket flexibility.},
  author={Hongwu Wang and Robert Aslanian and Vincent S. Madison},
  journal={Journal of molecular graphics & modelling},
  year={2008},
  volume={27 4},
  pages={512-21}
}
An induced-fit docking method was used to characterize the interactions of the glucocorticoid receptor binding-site with mometasone furoate, a glucocorticoid with a lipophilic ester at the C17alpha position. Two validation studies demonstrated that the protocol can reproduce crystal structures of nuclear receptors, and is appropriate for modeling ligand binding to the glucocorticoid receptor. Key hydrogen bonding interactions between mometasone furoate and the glucocorticoid receptor, as well… CONTINUE READING

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