α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies

@inproceedings{Shityakov2012CyclodextrinDC,
  title={α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies},
  author={Sergey Shityakov and Jens Broscheit and Carola Y F{\"o}rster},
  booktitle={International journal of nanomedicine},
  year={2012}
}
This paper attempts to predict and emphasize molecular interactions of dopamine, levodopa, and their derivatives (Dopimid compounds) containing 2-phenyl-imidazopyridine moiety with the α-cyclodextrin dimer in order to assess and improve drug delivery to the central nervous system. The molecular docking method is used to determine the energetic profiles, hydrogen bond formation, and hydrophobic effect of 14 host-guest complexes. The results show that the "chemical branching" represented by… CONTINUE READING
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