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PCILO and CD. Conformational study of sulpiride, a dopamine antagonist
Author(s) -
van de Waterbeemd Han,
Testa Bernard
Publication year - 1981
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19810640724
Subject(s) - sulpiride , chemistry , conformational isomerism , dopamine , antagonist , stereochemistry , dopamine antagonist , quantum chemical , dopamine receptor , quantum , computational chemistry , receptor , organic chemistry , biochemistry , neuroscience , molecule , psychology , quantum mechanics , physics
The conformational behaviour of sulpiride has been investigated by the quantum mechanical PCILO method and by CD. measurements. The results indicate the predominance of a folded, intramolecularly H‐bonded conformer, with extended conformers being only slightly less stable. The pharmacological relevance of these results is briefly discussed.