Abstract
A new molecular modelling approach based on physico-chemical and pharmacokinetic properties, called Volsurf plus, was used to design new heterocyclic compounds with antiproliferative activity. The synthesis and in vitro antitumour tests on a breast carcinoma cell line (MCF7) confirmed VOLSURF predicted activity values.
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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Cell Line, Tumor
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Cell Survival / drug effects
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Drug Design
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Furans / chemistry*
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Humans
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Iodides / chemical synthesis*
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Iodides / chemistry
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Iodides / pharmacology*
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Models, Molecular
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Molecular Structure
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Structure-Activity Relationship
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Vinyl Compounds / chemical synthesis*
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Vinyl Compounds / chemistry
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Vinyl Compounds / pharmacology*
Substances
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Antineoplastic Agents
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Furans
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Iodides
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Vinyl Compounds
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furan