title: Design, synthesis and in vitro antitumour activity of new heteroaryl ethylenes.
abstract: Almond and VolSurf + modelling procedures allowed the structural design of new di- and mono-heteroaryl-ethylenes. The structural modifications suggested by the molecular modelling were verified by the synthesis of the designed molecules and by the evaluation of their in vitro activities against two lung tumour cell lines, A549 and H226. 2-{(E)-2-[5'-(Dibutylamino)-2,2'-bithien-5-yl]vinyl}-1-methylquinolinium iodide exhibited in vitro antiproliferative activity two orders of magnitude higher than that of the most active compound previously synthesized in our laboratory.
authors: Dipartimento di Scienze Chimiche, Università degli Studi di Catania, Viale A. Doria 6 95125, Catania, Italy. cg.fortuna@unict.it
authors: Cosimo G
authors: CG
authors: Fortuna
authors: Vincenza
authors: V
authors: Barresi
authors: Carmela
authors: C
authors: Bonaccorso
authors: Giuseppe
authors: G
authors: Consiglio
authors: Salvatore
authors: S
authors: Failla
authors: Angela
authors: A
authors: Trovato-Salinaro
authors: Giuseppe
authors: G
authors: Musumarra
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D015195:Drug Design; D005030:Ethylenes / Q000737:chemistry*; D006571:Heterocyclic Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans
chemical_list: D000970:Antineoplastic Agents; D005030:Ethylenes; D006571:Heterocyclic Compounds