Bioactivity of Makhana in Inhibiting the Development of Islet Autoantibodies: An Insilico study

Makhana (Euryale Ferox) is a super functional food with containing phytochemicals such as polyphenols, triterpeniods, alkaloids, flavonoids, essential oils, glycosides and polysaccharides. The polysachcharides of Makhana help the insulin resistant cells to actively absorb glucose, and also trigger the release of insulin. The purpose of this study is to determine the bioactive role of makhana and to isolate medicinally effective compounds from the library of known molecules. About 49 phytochemicals have been identified in Euryale ferox that are being used in research and surveyed via docking study. The Canonical SMILES of these compounds are retrieved from Pubchem and Marvin sketch. The SMILES are then uploaded on SwissADME database and fed into Stitch database to predict the target proteins found to be interacting with Makhana compounds. The Chem3D Ultra 11.0 program was utilised to construct the ligands’ three-dimensional structures for analysis. According to the Docking results, PPARG was found to be most associated with Type 1 diabetes mellitus. Screening results of all the 49 compounds of makhana against PPARG (Uniprot ID: A0A0S2Z4K5) using autodock vina displayed the binding energy of Ferotocotrimer E as -11. Based on the binding affinity it can be concluded that the active compound Ferotocotrimer E of Makhana has higher potential to inhibit the growth of islet auto-antibodies associated with Type I diabetes and preserve the health of pancreatic islet beta cells.