Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 16, Issue 7, Pages 4150-4159Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2007.12.042
Keywords
molecular modelling; antitumour compounds; heterocycles; QSAR
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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. (C) 2008 Elsevier Ltd. All rights reserved.
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