Design and synthesis of trans 2-(furan-2-yl)vinyl heteroaromatic iodides with antitumour activity.
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.
Fortuna
Cosimo Gianluca
CG
Dipartimento di Scienze Chimiche, Università di Catania, Viale A. Doria, 6, 95125 Catania, Italy. cg.fortuna@unict.it
Barresi
Vincenza
V
Berellini
Giuliano
G
Musumarra
Giuseppe
G
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*
D000970:Antineoplastic Agents; D005663:Furans; D007454:Iodides; D014753:Vinyl Compounds; C039281:furan