Design,synthesis and biological evaluation of trans 2-(thiophen-2-yl)vinyl heteroaromatic iodides |
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Authors: | Cosimo G. Fortuna Vincenza Barresi Giuseppe Musumarra |
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Affiliation: | Dipartimento di Scienze Chimiche, Università di Catania, Viale A. Doria, 6, 95125 Catania, Italy |
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Abstract: | A modeling approach based on physico-chemical and pharmacokinetic properties, called Volsurf+, was used to design new trans 2-(thiophen-2-yl)vinyl heteroaromatic iodides with antiproliferative activity. The synthesis and in vitro antitumor tests on two cell lines (MCF-7 and LNCap) confirmed Volsurf predicted activity values. An Almond model, derived to have an overall structural insight on the above compounds, supported the validity of Volsurf and provided guidelines for the synthesis of new compounds. |
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