title: Design and synthesis of trans 2-(furan-2-yl)vinyl heteroaromatic iodides with antitumour activity.
abstract: A new molecular modelling approach based on physico-chemical and pharmacokinetic properties, called Volsurf plus, was used to design new heterocyclic compounds with antiproliferative activity. The synthesis and in vitro antitumour tests on a breast carcinoma cell line (MCF7) confirmed VOLSURF predicted activity values.
authors.affiliation: Dipartimento di Scienze Chimiche, Università di Catania, Viale A. Doria, 6, 95125 Catania, Italy. cg.fortuna@unict.it
authors.forename: Cosimo Gianluca
authors.initials: CG
authors.lastname: Fortuna
authors.forename: Vincenza
authors.initials: V
authors.lastname: Barresi
authors.forename: Giuliano
authors.initials: G
authors.lastname: Berellini
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Musumarra
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D015195:Drug Design; D005663:Furans / Q000737:chemistry*; D006801:Humans; D007454:Iodides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D014753:Vinyl Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000970:Antineoplastic Agents; D005663:Furans; D007454:Iodides; D014753:Vinyl Compounds; C039281:furan