TY - JOUR
T1 - Molecular modelling, synthesis and acetylcholinesterase inhibition of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
AU - Soriano, Elena
AU - Samadi, Abdelouahid
AU - Chioua, Mourad
AU - Ríos, Cristóbal de los
AU - Marco-Contelles, José
N1 - Funding Information:
Abdelouahid Samadi thanks CSIC for a I3P post-doctoral contract. Mourad Chioua thanks Instituto de Salud Carlos III (ISCIII, MICINN) for a ‘Sara Borrell’ contract. Elena Soriano and José Marco-Contelles (J.M.C.) thanks CSIC ( 200880I221 ), CAM-CSIC ( CCG08-CSIC/SAL-3696 ) and Ministerio de Ciencia e Innovación (MICINN) ( SAF2006-08764-C02-01 ), Comunidad Autónoma de Madrid ( S/SAL-0275-2006 ) and ISCIII [Red RENEVAS ( RD06/0026/1002 )] for support. J.M.C. thanks Prof. Antonio García García and Dr. Mercedes Villarroya (Departamento de Farmacología y Terapéutica, Facultad de Medicina, Universidad Autónoma de Madrid, C/Arzobispo Morcillo 4; 28029 Madrid, Spain) for continuous support and encouragement.
PY - 2010/5/1
Y1 - 2010/5/1
N2 - 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.
AB - 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.
KW - AChE/BuChE inhibition
KW - Alzheimer's disease
KW - Ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
KW - Molecular modelling
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U2 - 10.1016/j.bmcl.2010.03.010
DO - 10.1016/j.bmcl.2010.03.010
M3 - Article
C2 - 20350807
AN - SCOPUS:77950857988
SN - 0960-894X
VL - 20
SP - 2950
EP - 2953
JO - Bioorganic and Medicinal Chemistry Letters
JF - Bioorganic and Medicinal Chemistry Letters
IS - 9
ER -