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3. QSAR studies of 6-aminopyrimidin-4-one derivatives as anti-inflammatory agent

Author(s): D.P. Kawade | P.B. Khedekar | K.P. Bhusari

Journal: International Journal of Pharmaceutical and Biomedical Research (IJPBR)
ISSN 0976-0350

Volume: 02;
Issue: 01;
Start page: 13;
Date: 2011;
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Keywords: Quantitative structure–activity relationships | Nonsteroidal anti–inflammatory drugs | Anti-inflammatory activity | Pyrimidin-4-one derivatives

In the present study, around eighteen 6-aminopyrimidin-4-one derivatives were synthesized and subjected for QSAR study using modified version of Allinger MM2 force field in Chem3D ultra structural descriptors. These compounds were further auxiliary screened spectroscopically and tested for anti-inflammatory activity. All compounds have showed better activity when compared with ibuprofen as standard. These compounds are also subjected to ulceration studies showing good results with almost no ulcerogenic activity. They showed better relationship between anti-inflammatory activities with respect to various descriptors established by stepwise multiple regression analysis. The analyses have produced well predictive, statistically significant and cross validated QSAR models which help to explore some expectedly potent compounds.
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