Abstract：
:An efficient, borax-catalyzed protocol for the synthesis of novel 4-aryl-substituted-4H-pyran derivatives fused to α-pyrone ring in a one-pot is described. By this achievement, some novel 4-aryl substituted 4H-pyrans fused to the α-pyrone ring as potential acetylcholinesterase inhibitors (AChEIs) with good to excellent yields are obtained from a one-pot three-component reaction between various aryl aldehydes, 4-hydroxy-6-methyl-2H-pyran-2-one and malononitrile. The method is a facile, inexpensive, practical and highly efficient one to obtain target compounds. The chemical structures of all compounds were characterized by FT-IR, FT-13CNMR and FT-1HNMR, MS spectroscopy and also elemental analyses data. Furthermore, the purity of all novel compounds was checked by HPLC. In addition, both molecular modelling studies and Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMETox) prediction nominated all compounds as good acetylcholinesterase inhibitors to the potential treatment of Alzheimer, Parkinson and Autism diseases that among them compound 4f showed the best activity against acetylcholinesterase enzyme.
journal_name
Comput Biol Chemjournal_title
Computational biology and chemistryauthors
Pourshojaei Y,Abiri A,Eskandari R,Dourandish F,Eskandari K,Asadipour Adoi
10.1016/j.compbiolchem.2019.04.004subject
Has Abstractpub_date
2019-06-01 00:00:00pages
249-258eissn
1476-9271issn
1476-928Xpii
S1476-9271(18)30967-8journal_volume
80pub_type
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