期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 16, 期 7, 页码 4150-4159出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2007.12.042
关键词
molecular modelling; antitumour compounds; heterocycles; QSAR
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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