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Binding of serotonin to the human serotonin transporter. Molecular modeling and experimental validation.
Molecular modeling and structure-activity relationship studies were performed to propose a model for binding of the neurotransmitter serotonin (5-HT) to the human serotonin transporter (hSERT).Expand
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Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter*
Tricyclic antidepressants (TCAs) have been used for decades, but their orientation within and molecular interactions with their primary target is yet unsettled. The recent finding of a TCA bindingExpand
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Evaluation of isofagomine and its derivatives as potent glycosidase inhibitors.
A pseudo-aza-monosaccharide and several pseudo-aza-disaccharide compounds were constructed based on replacement of the anomeric carbon with a nitrogen and the ring oxygen with a carbon. TheExpand
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Stereoelectronic substituent effects in polyhydroxylated piperidines and hexahydropyridazines.
From the pK(a) values of the conjugate acids of a large series of hydroxylated piperidines and hexahydropyridazines, a consistent difference in basicity was found between stereoisomers having anExpand
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An extended study of dimeric phenyl tropanes.
A series of dimeric phenyl tropanes consisting of two molecules of 4-chloro, 4-iodo or 4-(3-thiopheno)-phenyl tropane tethered together at the carboxylic acid moiety by a diamine or diol linker wereExpand
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The disarming effect of the 4,6-acetal group on glycoside reactivity: torsional or electronic?
An evaluation of whether the well-known deactivating effect of a 4,6-acetal protection group on glycosyl transfer is caused by torsional or an electronic effect from fixation of the 6-OH in the tgExpand
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"Super armed" glycosyl donors: conformational arming of thioglycosides by silylation.
Glycosyl donors protected with bulky silyl protective groups (tert-butyldimethylsilyl, TBS), on the 2-, 3-, and 4-OH groups were found to have superior reactivity compared with benzylatedExpand
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Stereoelectronic substituent effects.
An investigation was carried out on the influence of the stereochemistry of substituents, particularly hydroxyl groups, on their electronic effects in piperidines, carbohydrates (pyranosides), andExpand
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