3- and 5-isoxazolol zwitterions: an ab initio molecular orbital study relating to GABA agonism and antagonism.

@article{Boulanger19873A5,
  title={3- and 5-isoxazolol zwitterions: an ab initio molecular orbital study relating to GABA agonism and antagonism.},
  author={T. Boulanger and D. P. Vercauteren and F. Durant and J. M. Andr{\'e}},
  journal={Journal of theoretical biology},
  year={1987},
  volume={127 4},
  pages={
          479-89
        }
}
  • T. Boulanger, D. P. Vercauteren, +1 author J. M. André
  • Published 1987
  • Chemistry, Medicine
  • Journal of theoretical biology
  • The Hartree-Fock ab initio molecular orbital method has been applied to eight compounds: GABA (gamma-amino butyric acid) (1), its partially rigidified analog, TACA (trans-4-aminocrotonic acid) (2), six isoxazolol analogs; muscimol (5-aminomethylisoxazol-3-ol (3), THIP (4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol) (4), THAZ (5,6,7,8-tetrahydro-4H-isoxazolo[4,5-d]azepin-3-ol) (5), isomuscimol (3-aminomethylisoxazol-5-ol) (6), iso-THIP (4,5,6,7-tetrahydroisoxazolo[3,4-c] pyridin-5-ol) (7), and… CONTINUE READING
    11 Citations

    Topics from this paper

    Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria).
    • T. Kupka, P. Wieczorek
    • Chemistry, Medicine
    • Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
    • 2016
    • 3

    References

    SHOWING 1-10 OF 12 REFERENCES
    GABA agonists and potential antagonists related to muscimol
    • 24
    Conformational analysis of muscimol, a GABA agonist.
    • 22