Molecular Docking Prediction Between Anthocyanins Reported for Andean Berry (Vaccinium meridionale Swartz) with Proteins Involved in the Apoptosis

Anthocyanins are polyphenols contained in berries. There is evidence that act as possible modulators in cell death mechanisms like apoptosis. Cancer is a relevant scenario where modulate apoptosis can be relevant. For this reason, in this study it was evaluated the binding molecular affinity with apoptotic proteins of some anthocyanins from Vaccinium meridionale Swartz berry to identify potential antitumoral biological compounds. Cyanidin 3-glucoside, cyanidin 3-galactoside, and delphinidin 3-glucoside structures were downloaded from PubChem and crystalographic structures of apoptosis proteins were obtained from Protein Data Bank. Docking experiments in silico were implemented with structures prepared. Cyanidin 3-glucoside and cyanidin 3-galactoside showed the best affinity with FADD/fas protein while delphinidin 3-glucoside with procaspase 3 protein. These results of affinity suggest a potential proapoptotic activity related with these anthocyanins.