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Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.3/30062
- Conformational requirements for convulsant compounds
- Wong, Margaret G.; Andrews, Peter R.
- The conformations of a structurally diverse series of convulsant drugs sharing a common binding site with picrotoxinin were studied to give some clues as to the mechanisms of epilepsy and thus to the design of anti-convulsant drugs. Both classical potential energy calculations and molecular orbital calculations were used to determine low energy conformations able to bind at the receptor. In addition, electrostatic potential energy surfaces were calculated to establish the most likely sites of electrostatic interaction. This information was then used to determine a common pharmacophore for these compounds.
- Publication type
- Journal article
- Research centre
- Swinburne Institute of Technology. Applied Chemistry Department
- European Journal of Medicinal Chemistry, Vol. 24, no. 4 (Jul-Aug 1989), p. 323-334
- Publication year
- Convulsants; Molecular modelling; Structure-activity relationships
- Publisher URL
- Copyright © 1989. Published by Éditions scientifiques et médicales Elsevier.
- Peer reviewed