Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 345-353 |
| Number of pages | 9 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 22 |
| Issue number | S9 |
| DOIs | |
| Publication status | Published - 1982 |
Cite this
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Design of transition‐state analogues for gaba‐transaminase. / Andrews, Peter R; Iskander, Magdy; Jones, G P; Winkler, David.
In: International Journal of Quantum Chemistry, Vol. 22, No. S9, 1982, p. 345-353.Research output: Contribution to journal › Article › Research › peer-review
TY - JOUR
T1 - Design of transition‐state analogues for gaba‐transaminase
AU - Andrews, Peter R
AU - Iskander, Magdy
AU - Jones, G P
AU - Winkler, David
PY - 1982
Y1 - 1982
N2 - Compounds which inhibit the mitochondrial enzyme GABA-transaminase have considerable potential as anticonvulsant drugs. An approach which may provide potent and specific enzyme inhibitors involves the use of the transition-state structure of the reaction catalyzed by the enzyme as a template for the design of transition-state analogues. Molecular orbital calculations have been used to calculate the potential energy surface and identify the transition-state structure for the reaction catalyzed by GABA-transaminase. A series of transition-state analogues based on this structure have been synthesized and were found to be biologically active. An active site model has also been developed on the basis of the calculated reaction pathway.
AB - Compounds which inhibit the mitochondrial enzyme GABA-transaminase have considerable potential as anticonvulsant drugs. An approach which may provide potent and specific enzyme inhibitors involves the use of the transition-state structure of the reaction catalyzed by the enzyme as a template for the design of transition-state analogues. Molecular orbital calculations have been used to calculate the potential energy surface and identify the transition-state structure for the reaction catalyzed by GABA-transaminase. A series of transition-state analogues based on this structure have been synthesized and were found to be biologically active. An active site model has also been developed on the basis of the calculated reaction pathway.
U2 - 10.1002/qua.560220732
DO - 10.1002/qua.560220732
M3 - Article
VL - 22
SP - 345
EP - 353
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - S9
ER -