Abstract

The physicochemical properties of the fifty-seven molecules consider as inhibitors of PI3K were calculated and evaluated by descriptive statistics and principal component (PCA) analyses. PCA reduced physicochemical variables to two independent components. Here we show that six common characteristics (HBD, Dbonds, LogP, MR, S-bonds and TPSA) have low variability and could be the important characteristics that describe this type of molecules. In addition, the structural similarities as the presence of pyrimidine and triazine rings may be related to compound activity on cancer proteins like PI3K. These physicochemical and structural properties could be taken into account for anti-cancer treatments.

Keywords: PI3K; Principal component analysis; Variables