title: Design, modelling, synthesis and biological evaluation of peptidomimetic phosphinates as inhibitors of matrix metalloproteinases MMP-2 and MMP-8.
abstract: Three novel peptidomimetic phosphinate inhibitors have been synthesized and evaluated as inhibitors of matrix metalloproteinases MMP-2 and MMP-8. Their IC50 values are in the micromolar range, and one of them showed to be the most effective inhibitor of MMP-2. The differences in binding affinities for MMP-2 and MMP-8 of the three phosphinates have been rationalized by means of modelling studies and molecular dynamics simulations.
authors.affiliation: Dipartimento di Chimica, Ingegneria Chimica e Materiali, Università dell'Aquila, via Vetoio, I-67010-Coppito, AQ, Italy.
authors.forename: Gianluca
authors.initials: G
authors.lastname: Bianchini
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Aschi
authors.forename: Giancarlo
authors.initials: G
authors.lastname: Cavicchio
authors.forename: Marcello
authors.initials: M
authors.lastname: Crucianelli
authors.forename: Serena
authors.initials: S
authors.lastname: Preziuso
authors.forename: Carlo
authors.initials: C
authors.lastname: Gallina
authors.forename: Adele
authors.initials: A
authors.lastname: Nastari
authors.forename: Enrico
authors.initials: E
authors.lastname: Gavuzzo
authors.forename: Fernando
authors.initials: F
authors.lastname: Mazza
mesh_terms: D015195:Drug Design; D020128:Inhibitory Concentration 50; D020778:Matrix Metalloproteinase 2 / Q000378:metabolism; D020784:Matrix Metalloproteinase 8 / Q000378:metabolism; D061965:Matrix Metalloproteinase Inhibitors; D008956:Models, Chemical; D015394:Molecular Structure; D010757:Phosphorous Acids / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D011480:Protease Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D061965:Matrix Metalloproteinase Inhibitors; D010757:Phosphorous Acids; D011480:Protease Inhibitors; D020778:Matrix Metalloproteinase 2; D020784:Matrix Metalloproteinase 8; C043639:metaphosphoric acid