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Comparative 2D QSAR Studies of 1,8-Naphthyridine against Tumor Cell Lines

Abstract : In a persevering effort to develop better anticancer drugs, a quantitative structure activity relationship analysis using a set of 2-D descriptors was performed on a series of 1,8-naphthyridine derivatives acting by the inhibition of tubulin polymerization. QSAR models that were derived from the study were found to be statistically significant with a good predicting ability. The results obtained from the study justify the use of 2-D descriptors for exploring the requirements of binding of 1,8-naphthyridines to the heterodimer, tubulin. Attempt has been made to explore the structural and/or physicochemical requirements of the compounds, responsible for the action against tumor cells. The physicochemical descriptors and indicator variables were correlated with the biological activity

Paper Details : In a persevering effort to develop better anticancer drugs, a quantitative structure activity relationship analysis using a set of 2-D descriptors was performed on a series of 1,8-naphthyridine derivatives acting by the inhibition of tubulin polymerization. QSAR models that were derived from the study were found to be statistically significant with a good predicting ability. The results obtained from the study justify the use of 2-D descriptors for exploring the requirements of binding of 1,8-naphthyridines to the heterodimer, tubulin. Attempt has been made to explore the structural and/or physicochemical requirements of the compounds, responsible for the action against tumor cells. The physicochemical descriptors and indicator variables were correlated with the biological activity

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