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Title: Quantitative structure-activity relationship study of orally active cyclooxygenase-2 (COX-2) inhibitors of derivatives of 3-phenoxypyran-4-one
Authors: Shekhawat, Manju
Singh, P
Kumar, R
Keywords: Cyclooxygenase-2 inhibitors;3-phenoxypyran-4-one derivatives;Quantitative structure-activity relationship
Issue Date: Feb-2007
Publisher: CSIR
Abstract: The cyclooxygenase (COX) inhibition activities of the derivatives of 3-phenoxypyran-4-one were analyzed through multiple-regression analysis (MRA). Appropriate physicochemical parameters, identified for the substitutents of phenyl ring, attached to 3-phenoxypyran-4-one moiety were quantitatively correlated with COX-2 and COX-1 inhibition activities of these compounds. The derived significant correlation equation for COX-2 inhibition suggested that the ortho-substituent with negative resonance parameter, the para-substituent with lower dipole moment and the meta-substituent having higher resonance parameter were advantageous for the activity. The derived correlation equation for COX-1 inhibition suggested the significance of resonance effect for ortho-substituents and electron-donating effect for para-substituent. A few potential congeners were also suggested for further synthesis.
Page(s): 50-55
ISSN: 0301-1208
Appears in Collections:IJBB Vol.44(1) [February 2007]

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