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Tetrahydroisoquinolines acting as dopaminergic ligands: a molecular modeling study using MD simulations and QM calculations
(Springer Verlag Berlín, 2012-02)
A molecular modeling study on 16 1-benzyl tetrahydroisoquinolines (BTHIQs) acting as dopaminergic ligands was carried out. By combining molecular dynamics simulations with ab initio and density functional theory (DFT) ...
Structure–activity relationship of dopaminergic halogenated 1-benzyl-tetrahydroisoquinoline derivatives
(Elsevier France-editions Scientifiques Medicales Elsevier, 2009-11)
Two series of halogenated 1-benzyl-7-chloro-6-hydroxy-tetrahydroisoquinolines were prepared to explore the influence of each series on the affinity for dopamine receptors. All the compounds displayed a high affinity for ...