The pancreatic ATP-sensitive potassium channel (Katp ion channel along with SUR) of the pancreas, which works as a regulatory for insulin secretion, is one of the viable targets to treat diabetes. Study shows that insulin secretagogue binds to the SUR subunit. This leads to the depolarization of pancreatic β cells, activation of the voltage-gated calcium channel, and subsequent release of insulin. Therefore, in this study, we will follow experimental and computational approaches to identify a potent insulin-secreting agent from our library of natural products.
In the experimental approach, we will test in mice pancreatic islets. To further investigate the molecular behavior of the ligand, a computational study will be done. In the computational investigation, we will do molecular docking and MD simulation on the Katp channel (PDB: 6JB1) using BioSolveIt and Academic Desmond, respectively. We hope the identified molecule might be a promising candidate for drug discovery against diabetes.
Santosh intends to achieve the following milestones:
- Within first three months, we will complete molecular docking (protein selection, protein preparation, ligand preparation and docking)
- Within second three months, we will complete molecular dynamics simulation.
- Our experimental approach is almost finished, so that at the last three months, we will do triplicate to check data reproducibility.