Molecular modelling, synthesis and acetylcholinesterase inhibition of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxyl ate

作者：Soriano Elena; Samadi Abdelouahid; Chioua Mourad; de los Rios Cristobal; Marco Contelles Jose^*

来源：Bioorganic & Medicinal Chemistry Letters, 2010, 20(9): 2950-2953.

DOI：10.1016/j.bmcl.2010.03.010

• Molecular modelling
• Ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxyl ate
• AChE/BuChE inhibition
• Alzheimer's disease

In silico analysis of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate (2) predicts that this molecule should be successfully docked in the PAS, and easily accommodated in the CAS of AChE. The synthesis and the AChE/BuChE inhibition studies are reported, confirming that compound 2 is a potent and selective AChE inhibitor, and consequently, a new lead compound for further development into new dual CAS/PAS cholinergic agents for the treatment of Alzheimer's disease.

• 出版日期2010-5-1