Synthesis and molecular docking studies of some new tetra-amide derivatives as new inhibitors of Maltase-Glucoamylase
Journal of Molecular Structure(2019)
摘要
Tetra amide derivatives have been synthesized in good yields via a one-pot pseudo seven-component ugi reaction of terephthalaldehyde, with 2 molecules of amines, isocyanides and 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid), and also by condensation of 1,4-phenylenediamine, with 2 molecules aldehyde, isocyanides and 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid). All the newly synthesized compounds were screened for molecular docking studies. Molecular docking studies were carried out using the crystal structure of C-terminal and N-terminal Maltase-Glucoamylase enzyme. Some of the ugi adducts showed minimum binding energy and good affinity toward the active pocket of Maltase-Glucoamylase enzyme in comparison to acarbose as a standard Maltase-Glucoamylase inhibitor.
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关键词
Molecular docking,Tetra-amide,Ugi reaction,Multi-component reactions,Inhibitors of Maltase-Glucoamylase
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