Pro-apoptotic properties of parthenin analogs: a quantitative structure–activity relationship study

The pro-apoptotic activity of 37 parthenin analogs was quantitatively related to their structures by carrying out quantitative structure–activity relationship study employing genetic function approximation algorithm. Five descriptors were found to be important contributors toward the pro-apoptotic activity of the said compound series. The statistical significance of the model was authenticated with a very good correlation and cross-validation correlation parameter (r2 = 0.9 and q2 = 0.839). The model was also validated for leave-25 %-out cross-validation test and external prediction criteria and was found to be well within the acceptable range. The model would be very useful for designing and lead optimization of anticancer compounds and also for prediction of activity of new compounds in this series.