AN IN-SILICO APPROACH FOR THE IDENTIFICATION OF ANTI-COLON CANCER PHYTOCOMPOUNDS FROM AVENA SATIVA.L

Abstract

Oats (Avena sativa L.) have been used as livestock and human foods since ancient times. It is a good source of many active phytocompounds which exhibit anti-inflammatory, anti-oxidant and anti-colon cancer activities. In the present study, an in- silico approach was followed to identify the potential phytocompounds of oats against anticolon cancer. Fourteen phytocompounds of oats were selected as ligands and subjected to molecular docking analyses for the inhibition of c-Met receptor which is the potential stimulator for colon cancer.  The 3D structure of ligands and receptor were retrieved using online tools Pubchem and PDB, respectively. The structure of ligand molecules were drawn using chemsketch software. Out of 14 phytocompounds, 10 compounds satisfied the Lipinski’s properties and the docking studies for these 10 compounds were done using commercial tool Accelyrs Discovery Studio 2.1. Among 10 compounds,  Gallic acid showed the highest dock score i.e 126.44 with more hydrogen bond formation i.e 9.0. The results implied that Gallic acid will act against human colon cancer by blocking c-Met receptor and its can be developed into a potent drug for human colon cancer in future.