Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 12, Issue 13, Pages 3581-3589Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2004.04.026
Keywords
caffeates; gallates; anticancer activity; ab initio calculations
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The antiproliferative and cytotoxic properties of polyphenolic acid derivatives, structurally related with the natural models caffeic and gallic acids. have been tested in human cervix adenocarcinoma cells (HeLa). Simultaneous structural information was obtained for these Compounds through theoretical ab initio methods. This study was conducted for the following esters: methyl caffeate (MC, 1), propyl caffeate (PC, 2), octyl caffeate (OC, 3), methyl gallate (MG, 4), propyl gallate (PG, 5) and octyl gallate (OG, 6). A significant growth-inhibition effect was assessed for some of these compounds, clearly dependent on their structural characteristics. Marked structure-activity relationships (SARs)-namely the number of hydroxyl ring substituents-were found to rule the biological effect of such systems. (C) 2004 Elsevier Ltd. All rights reserved.
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