Modeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line
Vincenza Barresi, Carmela Bonaccorso, Giuseppe A. Consiglio, Laura Goracci, Nicolò Musso, Giuseppe Musumarra, Cristina Satriano, Cosimo G. Fortuna · Molecular BioSystems · 2013
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.