QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT) - Archive ouverte HAL Access content directly
Journal Articles Bioorganic and Medicinal Chemistry Year : 2012

QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT)

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Zoya Mincheva
  • Function : Author
Nathalie Méheux
  • Function : Author
Patrick Emond

Abstract

The dopamine transporter (DAT) plays a pivotal role in the regulation of dopamine neurotransmission, and is involved in a number of physiological functions and brain disorders. Furthermore the DAT analysis by molecular imaging techniques is a useful tool for the diagnosis and follow up treatment of diseases involving the DAT. In order to predict the affinity of new derivatives for the DAT, different QSAR molecular modeling models based on cocaine were compared. We have evaluated in these models tropane derivatives synthesized with original synthons which coupled properties of both fluorine and iodine atoms. One compound showed a high in vitro affinity and selectivity for the DAT (K-i = 0.87 +/- 0.04 nM). This compound should be radiolabeled with radioiodine for further investigations by SPECT. (C) 2012 Elsevier Ltd. All rights reserved.
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hal-01826407 , version 1 (29-06-2018)

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Sylvie Mavel, Zoya Mincheva, Nathalie Méheux, Yvan Carcenac, Denis Guilloteau, et al.. QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT). Bioorganic and Medicinal Chemistry, 2012, 20 (4), pp.1388 - 1395. ⟨10.1016/j.bmc.2012.01.014⟩. ⟨hal-01826407⟩
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