Structure-activity correlation for a series of isatin derivatives, inhibitors of caspase 3
I. G. Tsygankova, S. M. Zhenodarova · Russian Journal of General Chemistry · 2009
The correlation structure- property was used for the calculation of inhibitor activity of a series of isatin derivatives, inhibitors of caspase 3, based on a fragment description of the molecular structure. A large number of simple models of the similar accuracy was obtained. The frequency analysis of the popularity of certain fragments contribution into the models made it possible to reveal the role of individual elements of the molecular structure. This result is important for prediction of the activity of caspase 3 inhibitors.