title: Synthesis, molecular docking and biological evaluation as HDAC inhibitors of cyclopeptide mimetics by a tandem three-component reaction and intramolecular [3+2] cycloaddition.
abstract: 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.
authors.affiliation: Dipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche and Drug and Food Biotechnology Center, DiSCAFF, Università degli Studi del Piemonte Orientale A. Avogadro, Via Bovio 6, 28100, Novara, Italy.
authors.forename: Tracey
authors.initials: T
authors.lastname: Pirali
authors.forename: Valeria
authors.initials: V
authors.lastname: Faccio
authors.forename: Riccardo
authors.initials: R
authors.lastname: Mossetti
authors.forename: Ambra A
authors.initials: AA
authors.lastname: Grolla
authors.forename: Simone
authors.initials: S
authors.lastname: Di Micco
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Bifulco
authors.forename: Armando A
authors.initials: AA
authors.lastname: Genazzani
authors.forename: Gian Cesare
authors.initials: GC
authors.lastname: Tron
mesh_terms: D001665:Binding Sites; D040761:Biomimetic Materials / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D055808:Drug Discovery; D056572:Histone Deacetylase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D006655:Histone Deacetylases / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D008958:Models, Molecular; D010456:Peptides, Cyclic / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*
chemical_list: D056572:Histone Deacetylase Inhibitors; D010456:Peptides, Cyclic; D006655:Histone Deacetylases