Document Detail


An Approach towards the quantitative structure-activity relationships of caffeic acid and its derivatives.
MedLine Citation:
PMID:  15368569     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Caffeic acid and its derivatives are already known to possess a wide range of biological activities. We have developed quantitative structure-activity relationships (QSARs) for different series of caffeic acid derivatives (including caffeic acid) in order to understand the chemical-biological interactions governing antitumor activity against six different tumor cell lines, nitric oxide production, anti-HIV and enzymatic activities, and binding affinity to the lck domain. QSAR results have shown that the different activities of caffeic acid and its derivatives are largely dependent on their hydrophobicity or molar refractivity, with a bilinear correlation being the most important.
Authors:
Rajeshwar P Verma; Corwin Hansch
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Chembiochem : a European journal of chemical biology     Volume:  5     ISSN:  1439-4227     ISO Abbreviation:  Chembiochem     Publication Date:  2004 Sep 
Date Detail:
Created Date:  2004-09-15     Completed Date:  2005-03-09     Revised Date:  2008-11-21    
Medline Journal Info:
Nlm Unique ID:  100937360     Medline TA:  Chembiochem     Country:  Germany    
Other Details:
Languages:  eng     Pagination:  1188-95     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Pomona College, Claremont, CA 91711, USA. rverma@pomona.edu
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MeSH Terms
Descriptor/Qualifier:
Algorithms
Animals
Anti-HIV Agents / chemistry,  pharmacology
Antineoplastic Agents, Phytogenic / chemistry,  pharmacology
Caffeic Acids / chemistry*,  pharmacology*
Cell Line, Tumor
Chemistry, Physical
Enzyme Inhibitors / chemistry,  pharmacology
Humans
Ligands
Lipoxygenase Inhibitors / chemistry,  pharmacology
Mice
Nitric Oxide Synthase / antagonists & inhibitors
Physicochemical Phenomena
Quantitative Structure-Activity Relationship
Receptors, Drug / chemistry
src Homology Domains / drug effects
Chemical
Reg. No./Substance:
0/Anti-HIV Agents; 0/Antineoplastic Agents, Phytogenic; 0/Caffeic Acids; 0/Enzyme Inhibitors; 0/Ligands; 0/Lipoxygenase Inhibitors; 0/Receptors, Drug; EC 1.14.13.39/Nitric Oxide Synthase

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