MOLECULAR MECHANISM UNDERLYING QUERCETIN INDUCED APOPTOSIS BY insilico ANALYSIS and in PROSTATE CANCER PC-3 CELLS

The study was aimed to investigate the molecular mechanisms underlying triggering of apoptosis by quercetin using in silico analysis. The mechanism of binding of quercetin with NF-kB and other apoptotic proteins like BCL2 and BCLXL was analyzed in silico using Schrodinger suite 2009.Quercetin was found to exhibit high-affinity binding resulting from greater intermolecular forces between the ligand and its receptor NF-kB (-0.281 Glide score and -6.172 Docking Score). Quercetin binds to NFкB very strongly with metallic coordination.It can act as a inhibitor of apoptosis inhibitor when compared to BCLXL and BCL2.Quercetin down regulates the cell survival proliferative anti-apoptotic proteins thereby can prevent prostate cancer. To confirm this, in vitro study can be carried out with techniques like MTT Assay, Western blot, and polymerase chain reaction.