Literature DB >> 23900493

Modeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line.

Vincenza Barresi1, Carmela Bonaccorso, Giuseppe Consiglio, Laura Goracci, Nicolò Musso, Giuseppe Musumarra, Cristina Satriano, Cosimo G Fortuna.   

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.

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Year:  2013        PMID: 23900493     DOI: 10.1039/c3mb70151d

Source DB:  PubMed          Journal:  Mol Biosyst        ISSN: 1742-2051


  2 in total

1.  A QSPR approach to the ecotoxicity of ionic liquids (Vibrio fischeri) using VolSurf principal properties.

Authors:  Alessio Paterno'; Salvatore Scire; Giuseppe Musumarra
Journal:  Toxicol Res (Camb)       Date:  2016-04-21       Impact factor: 3.524

2.  Reversible photoswitching of the DNA-binding properties of styrylquinolizinium derivatives through photochromic [2 + 2] cycloaddition and cycloreversion.

Authors:  Sarah Kölsch; Heiko Ihmels; Jochen Mattay; Norbert Sewald; Brian O Patrick
Journal:  Beilstein J Org Chem       Date:  2020-01-23       Impact factor: 2.883

  2 in total

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