Synthesis, molecular docking and biological evaluation as HDAC inhibitors of cyclopeptide mimetics by a tandem three-component reaction and intramolecular [3+2] cycloaddition

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• 作者：Tracey Pirali ; Valeria Faccio ; Riccardo Mossetti ; Ambra A. Grolla ; Simone Di Micco ; Giuseppe Bifulco ; Armando A. Genazzani and Gian Cesare Tron
• 关键词：HDAC ; Multicomponent reactions ; α ; isocyanoacetamide ; Macrocycles ; Molecular modelling
• 刊名：Molecular Diversity
• 出版年：2010
• 出版时间：February, 2010
• 年：2010
• 卷：14
• 期：1
• 页码：109-121
• 全文大小：457.8 KB

文摘

Novel macrocyclic peptide mimetics have been synthesized by exploiting a three-component reaction and an azide–alkyne [3 + 2] cycloaddition. The prepared compounds were screened as HDAC inhibitors allowing us to identify a new compound with promising biological activity. In order to rationalize the biological results, computational studies have also been performed.