Berberine Binds in Silico to Anti-cancer Drug Target Enzyme Phosphoinositide 3- Kinase (Human PI3 K) with Affinity Comparable to Known Inhibitors of the Enzyme

Abstract

Article Info Phosphoinositide 3-kinase (PI3K) is an intracellular enzyme functioning as an inositol lipid kinase and is activated by several upstream growth factor receptors. PI3 K controls diverse cellular responses including but not limited to cell proliferation, survival, etc. Several recent reports have undoubtedly proved that PI3K is a druggable target and several research groups and pharmaceutical companies are developing inhibitors. In the present study, we present the results of Insilco docking analysis of a phytocompound Berberine and were compared with several known commercial PI3 K inhibitors. Our results show that Berberine docks efficiently with the active site of PI3 K and forms stable bonds with active site amino acid residues and essentially stalls enzyme activity. Our results also show that the bonding energies of these interactions are far more superior to the commercial PI3 K inhibitors and probably advocates as a probable PI3 K inhibitor. Accepted: xx May 2018 Available Online: xx June 2018