scholarly journals Nano-Fe3O4 Encapsulated-Silica Particles Bearing Sulfonic Acid Groups as a Magnetically Separable Catalyst for Highly Efficient Knoevenagel Condensation and Michael Addition Reactions of Aromatic Aldehydes with 1,3-Cyclic Diketones

2012 ◽  
Vol 33 (11-12) ◽  
pp. 1825-1831 ◽  
Author(s):  
Firouzeh NEMATI ◽  
Majid M. HERAVI ◽  
Raheleh SAEEDI RAD
Keyword(s):  
Michael Addition ◽  
Sulfonic Acid ◽  
Knoevenagel Condensation ◽  
Aromatic Aldehydes ◽  
Silica Particles ◽  
Addition Reactions ◽  
Magnetically Separable Catalyst ◽  
Magnetically Separable ◽  
Nano Fe3o4 ◽  
Sulfonic Acid Groups

scholarly journals Synthesis and Molecular Docking Studies of N,N-Dimethyl Arylpyranopyrimidinedione Derivatives

SynOpen ◽  
2022 ◽  
Vol 06 (01) ◽  
pp. 1-6
Author(s):  
Sivan Velmathi ◽  
Srinivasan Prabhakaran
Keyword(s):  
Molecular Docking ◽  
Reaction Mechanism ◽  
Binding Energy ◽  
Michael Addition ◽  
Barbituric Acid ◽  
Knoevenagel Condensation ◽  
Aromatic Aldehydes ◽  
Docking Studies ◽  
Reaction Sequence ◽  
Kinesin Eg5

AbstractThe synthesis of N,N-dimethyl arylpyranopyrimidinedione derivatives from aromatic aldehydes, N-methyl-1-(methylthio)-2-nitroethamine (NMSM) and 1,3-dimethyl barbituric acid, in the presence of piperidine as a catalyst, is reported. The reaction mechanism involves a Knoevenagel condensation, followed by Michael addition and intramolecular O-cyclization reaction sequence. The synthesized compounds were docked with human kinesin Eg5 protein to calculate binding energy, inhibition constant and H-bond interaction. All the compounds show good binding affinity towards the protein, with significant docking score.

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