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QSAR Modeling of Some 2-methoxy Acridones: Cytotoxic Agents in Multi Drug Resistant Cells

Author(s): N.S.H.N. Moorthy | P. Trivedi

Journal: International Journal of Cancer Research
ISSN 1811-9727

Volume: 2;
Issue: 3;
Start page: 267;
Date: 2006;
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Keywords: 2-Methoxy acridones | QSAR | Dragon

10 substituted 2-methoxy acridone analogues were subjected to quantitative structure activity relationship analysis employing 2D molecular descriptors calculated from QSAR software Dragon. Multiple linear regression analysis of the data following a stepwise technique resulted in statistically significant triparametric models with good predictive power (r>0.9, q2>0.8). The results of the study suggest that flexibility of substituent sidechain and four membered methylene bridges between the acridone nucleus and substituents enhances the cytotoxic potency of 2 methoxy acridones. Further, the generated QSAR models also indicate that bulky substituents and the presence of sulfur atoms are disfavored whereas heteroatoms in the molecular extremity are favored for cytotoxic activity. ]]>
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