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

被引:28
作者
Barresi, Vincenza [1 ]
Bonaccorso, Carmela [2 ]
Consiglio, Giuseppe [3 ]
Goracci, Laura [2 ]
Musso, Nicolo [1 ]
Musumarra, Giuseppe [2 ]
Satriano, Cristina [2 ]
Fortuna, Cosimo G. [2 ]
机构
[1] Univ Catania, Dipartimento Sci Biomed, Sez Biochim, I-95125 Catania, Italy
[2] Univ Catania, Dipartimento Sci Chim, I-95125 Catania, Italy
[3] Univ Catania, Dipartimento Ingn Ind & Meccan, I-95125 Catania, Italy
关键词
VITRO ANTITUMOR-ACTIVITY; IN-SILICO DISCOVERY; QSAR MODEL; CHEMOTHERAPY; AGENTS; TRANS; DRUG; ANTAGONISTS; BIOMARKERS; CHEMISTRY;
D O I
10.1039/c3mb70151d
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:2426 / 2429
页数:4
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