Articles written in Journal of Chemical Sciences
Volume 106 Issue 2 April 1994 pp 149-161
The quantum mechanical PCILO method has been used to study the conformation of three selective dopamine D2-receptor antagonists: remoxipride, eticlopride and NCQ 115. The calculations were done for both the protonated and ‘free base’ forms of the antagonists. The protonated antagonists all have folded structures due to intramolecular hydrogen bonding between the carbonyl of the amide moiety and the hydrogen on the pyrrolidine nitrogen. The ‘free bases’ on the other hand are characterised by extended structures. An interaction model for these molecules with the dopamine receptor has been proposed.
Volume 111 Issue 4 August 1999 pp 581-588 Physical And Theoretical
Peptides containing residues with alternating
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