Thesis:

Is of the Effect of Phlomis cancellata on Alaphaglucosidase Enzyme inhibition for treating diabetes

Active plant substances play a fundamental role in drug discovery, especially for cancer and infectious diseases. In this research, we have investigated the inhibitory power of the compounds extracted from the mass of Ponsai for the treatment of diabetes using Autodoc Tools, Yasara and Ligaplot software. In the first part of this work, the inhibitory power of essential oil compounds extracted from Ponsai plant on the active site of alpha-glucosidase enzymes for the treatment of diabetes was performed. The best inhibitor for alpha-glucosidase enzyme was delta-cadinene with a binding energy of -18.7 kcal/mol. Hydrophobic and hydrogen bonds with the active site and stability of the protein-ligand complex by solvent molecules play a significant role in inhibiting enzymes. The inhibition of delta-cadinine was higher compared to the drug metformin, which is currently used to treat diabetes. The binding energy of metformin drug, which was investigated by molecular docking method like essential oil compounds, was -6.63. Also, compounds of gamma-elmen, Germkeren D, beta-caryophyllene, beta-bourbonene and alpha-humulene had higher binding energy than metformin

Keywords: drug. Beta-bourbonin was the second molecule after delta-cadinin in terms of ligand binding energy