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QSAR and docking studies on propenone derivatives as dual COX and 5-LOX inhibitors
Ponnurengan Malliappan Sivakumar,
Published in
Volume: 5
Issue: 7
Pages: 544 - 554
Quantitative structure activity relationships were developed for seventeen propenone derivatives reported in the literature that act as dual COX and 5-LOX inhibitors. Predominantly spatial, thermodynamic, topological, and electronic descriptors appear in the models. Docking between these compounds and COX-1, COX-2 and 5-LOX enzymes was also performed and mathematical relationships were developed between the binding energy and activity. © 2008 Bentham Science Publishers Ltd.
About the journal
JournalLetters in Organic Chemistry
Open AccessNo