title: Modeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line.
abstract: A dataset of 50 compounds was used to generate a QSAR model and to design 9 new heteroaryl ethylenes. These compounds were synthesized, tested in vitro and a significant agreement with in silico predictions observed. Studies using Laser Scanning Confocal Microscopy pointed out that the compounds may act by different mechanisms.
authors.affiliation: Sezione di Biochimica, Dipartimento di Scienze Bio-Mediche, Università degli Studi di Catania, Viale A. Doria 6, 95125, Catania, Italy. barregi@unict.it.
authors.forename: Vincenza
authors.initials: V
authors.lastname: Barresi
authors.forename: Carmela
authors.initials: C
authors.lastname: Bonaccorso
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Consiglio
authors.forename: Laura
authors.initials: L
authors.lastname: Goracci
authors.forename: Nicolò
authors.initials: N
authors.lastname: Musso
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Musumarra
authors.forename: Cristina
authors.initials: C
authors.lastname: Satriano
authors.forename: Cosimo G
authors.initials: CG
authors.lastname: Fortuna
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D001943:Breast Neoplasms; D049109:Cell Proliferation / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D005030:Ethylenes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D005260:Female; D006801:Humans; D020128:Inhibitory Concentration 50; D061986:MCF-7 Cells; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D005030:Ethylenes