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.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Antineoplastic Agents / chemical synthesis
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Antineoplastic Agents / chemistry*
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Antineoplastic Agents / pharmacology
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Breast Neoplasms
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Cell Proliferation / drug effects
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Dose-Response Relationship, Drug
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Drug Design*
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Ethylenes / chemical synthesis
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Ethylenes / chemistry*
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Ethylenes / pharmacology
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Female
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Humans
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Inhibitory Concentration 50
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MCF-7 Cells
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Models, Molecular*
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Quantitative Structure-Activity Relationship
Substances
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Antineoplastic Agents
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Ethylenes