title: Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells.
abstract: An analysis of the main pharmacophoric features present in the still limited number of inhibitors of glucose transporter GLUT1 led to the identification of new oxime-based inhibitors, which proved to be able to efficiently hinder glucose uptake and cell growth in H1299 lung cancer cells. The most important interactions of a representative inhibitor were indicated by a novel computational model of GLUT1, which was purposely developed to explain these results and to provide useful indications for the design and the development of new and more efficient GLUT1 inhibitors.
authors.affiliation: Dipartimento di Farmacia, Università di Pisa, Via Bonanno 6, 56126 Pisa, Italy.
authors.forename: Tiziano
authors.initials: T
authors.lastname: Tuccinardi
authors.forename: Carlotta
authors.initials: C
authors.lastname: Granchi
authors.forename: Jessica
authors.initials: J
authors.lastname: Iegre
authors.forename: Ilaria
authors.initials: I
authors.lastname: Paterni
authors.forename: Simone
authors.initials: S
authors.lastname: Bertini
authors.forename: Marco
authors.initials: M
authors.lastname: Macchia
authors.forename: Adriano
authors.initials: A
authors.lastname: Martinelli
authors.forename: Yanrong
authors.initials: Y
authors.lastname: Qian
authors.forename: Xiaozhuo
authors.initials: X
authors.lastname: Chen
authors.forename: Filippo
authors.initials: F
authors.lastname: Minutolo
mesh_terms: D001665:Binding Sites; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D004926:Escherichia coli / Q000378:metabolism; D029968:Escherichia coli Proteins / Q000737:chemistry / Q000378:metabolism; D051272:Glucose Transporter Type 1 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D006801:Humans; D007074:Immunoglobulin G / Q000737:chemistry / Q000494:pharmacology; D008558:Melphalan / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D062105:Molecular Docking Simulation; D010091:Oximes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D017434:Protein Structure, Tertiary; D027981:Symporters / Q000737:chemistry / Q000378:metabolism
chemical_list: D029968:Escherichia coli Proteins; D051272:Glucose Transporter Type 1; D007074:Immunoglobulin G; D010091:Oximes; D027981:Symporters; C051713:antineoplastic agent K 18; C033903:xylE protein, E coli; D008558:Melphalan
keywords: Cancer; Glucose transporter; Glycolysis; Modeling; Warburg effect