QSAR Study of Anticancer Agents: 1,8-Naphthyridine Derivatives

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. An attempt has been made to explore the structural and/or physico-chemical requirements of the compounds, responsible for the action against tumour cells. The physico-chemical descriptors and indicator variables were correlated with the biological activity.