Molecular modelling of GABA uptake inhibitors
Research output: Contribution to journal › Journal article › Research › peer-review
Flemming Steen Jørgensen, Henning Thøgersen
A joint molecular modelling and computer graphics study of the potent and conformatio-nally flexible GABA uptake inhibitor SKF 89.976-A is presented. Two principally different approaches for determining the biologically active conformation(s) are described. In the first approach, three flexible compounds are compared in order to find differences between the potent SKF compound, an inactive and a less active compound. In the second approach, SKF 89.976-A is compared with a conformationally constrained GABA uptake inhibitor. The results are compared and a tentative model for the recognition site deduced.
|Journal||Nordic Journal of Psychiatry|
|Number of pages||4|
|Publication status||Published - 1 Jan 1987|
- GABA uptake inhibitors, Molecular modelling, Omputer graphics