Structural features of muscimol, a potent GABAA receptor agonist, crystal structure and quantum chemicalab initio calculations

@article{Brehm1997StructuralFO,
  title={Structural features of muscimol, a potent GABAA receptor agonist, crystal structure and quantum chemicalab initio calculations},
  author={Lotte Brehm and Karla Frydenvang and Lene Hansen and Per-Ola Norrby and Povl Krogsgaard‐Larsen and Tommy Liljefors},
  journal={Structural Chemistry},
  year={1997},
  volume={8},
  pages={443-451}
}
Muscimol, a constituent of the mushroomAmanita muscaria, is a semirigid analogue of the inhibitory neurotransmitter 4-aminobutyric acid (GABA). X-ray structure determinations and quantum chemicalab initio calculations (HF/6-31G*) have been carried out on the muscimol zwitterion. The solid-state conformations of the muscimol zwitterion are calculated to be 1.6–2.2 kcal/mol higher in energy than that of the calculated minimum energy structurein vacuo. A comparison of the calculated and… 
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