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Structure–Activity Relationships and Computational Investigations into the Development of Potent and Balanced Dual-Acting Butyrylcholinesterase Inhibitors and Human Cannabinoid Receptor 2 Ligands with Pro-Cognitive in Vivo Profiles

Dolles, Dominik ; Hoffmann, Matthias ; Gunesch, Sandra ; Marinelli, Oliviero ; Möller, Jan ; Santoni, Giorgio ; Chatonnet, Arnaud ; Lohse, Martin J. ; Wittmann, Hans-Joachim ; Strasser, Andrea ; Nabissi, Massimo ; Maurice, Tangui ; Decker, Michael


The enzyme butyrylcholinesterase (BChE) and the human cannabinoid receptor 2 (hCB(2)R) represent promising targets for pharmacotherapy in the later stages of Alzheimer's disease. We merged pharmacophores for both targets into small benzimidazole-based molecules, investigated SARs, and identified several dual-acting ligands with a balanced affinity/inhibitory activity and an excellent selectivity ...


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