Procyanidin B3 as a Potential Inhibitor of Human Septin 9.

Abstract—Septin cytoskeletal proteins are involved in many cellular processes; changes in their expression are a marker of oncological diseases. In this regard, septins can be a potential target for the treatment of cancer cells. To search for new small molecules that affect the structural organization of septin filaments, a virtual screening of the PubChem database compound library was performed and a substance with the highest affinity, the flavonoid procyanidin B3, was selected among all the compounds. Molecular modeling showed that procyanidin B3 interacts with the septin monomer SEPT9 in the region of the G1 and G4 motifs, which are important for GTP binding, and prevents dimerization of septin monomers. Therefore, procyanidin B3 can be considered as a promising compound for affecting the structure of septin filaments in cancer cells. [ABSTRACT FROM AUTHOR]