Anticancer activity trends of 5-substituted 2(2-diethylamino) ethyl Anthrapyrazoles toward L1210 murine leukemia: a QSAR Analysis

Abstract

The anticancer activities of ten known 5-Substituted 2-(2-Diethylamino) ethyl Anthrapyrazoles toward L1210 murine leukemia were picked from literature and correlated with their calculated molar volume and polarizability. In spite of their high activity and identical structure except for C5 side chain, the ten anthrapyrazole failed to give acceptable correlation. A method has to be devised to uncover the underlined cause for this. This was simply done by sequential removal of data points from the data sets and securitizing the change in the value of statistical correlation coefficient; any points, the removal of which increase the coefficient by circa 0.4 units, was set aside until a maximum value of the coefficient was obtained. This lead to separate five compounds out of ten in a subset with high correlation coefficient (above 0.9). The removal of points was statistically justified by calculating Cook`s squired distance. Regression analysis was performed for the removed points as one set and themselves were found to give high correlation. Thus two distinct sub groups were found to be nested inside the larger group of ten compounds. Statistical and chemical reasoning was exploited to suggest that the two groups are probably mechanistically distinct.