QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT)
作者: Sylvie MavelZoya MinchevaNathalie MéheuxYvan CarcenacDenis GuilloteauMohamed AbarbriPatrick Emond
作者单位: 1Université François-Rabelais, INSERM U930, CNRS ERL3106, 31 Avenue Monge, 37200 Tours, France
2INSERM U930, CHRU, Hôpital Bretonneau, 37000 Tours, France
3Université François-Rabelais, Laboratoire de Physicochimie des Matériaux et Biomolécules EA 4244, Faculté des Sciences, 37200 Tours, France
刊名: Bioorganic & Medicinal Chemistry, 2012, Vol.20 (4), pp.1388-1395
来源数据库: Elsevier Journal
DOI: 10.1016/j.bmc.2012.01.014
关键词: Dopamine transporterIodine3D-QSARTropane
英文摘要: Abstract(#br)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±...
全文获取路径: Elsevier  (合作)
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影响因子:2.903 (2012)

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