Activity of 4-arylchromene derivatives as apoptosis inductors and potential anticancer drugs

Abstract

The correlation models describing the quantitative structure-activity relationship have been developed for a series of the apoptosis-inducing 4-aryl-4H-chromenes and 4-aryl-2H-chromenes taking advantage of the fragment descriptors of the molecular structure. The set of models have been picked up, containing no more than 28 parameters and having the standard deviation of the predicted apoptosis-inducing activity of below 0.3 logarithmic units. Basing of the frequency of the descriptors in the 438 picked models, the structural elements crucial for the pro-apoptosis activity have been detected. The structural modifications have been suggested to enhance the studied activity of the compounds.