Structure–activity relations and receptor modelling of convulsant and anticonvulsant barbiturates from crystallographic data
- 1 January 1987
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 4,p. 415-421
- https://doi.org/10.1039/p29870000415
Abstract
The crystallographic structures of 14 convulsant and anticonvulsant barbiturates in a variety of crystalline environments are used to determine their molecular geometries and preferred conformations together with their optimal hydrogen bonding and molecular packing arrangements. These data suggest distinct structural requirements for barbiturate convulsant and anticonvulsant activity, and provide information on the likely molecular environment at the barbiturate target site.Keywords
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