STUDY OF NITRATION REACTION ON GLIMEPIRIDE AND THEIR POTENTIAL AS ANTI-DIABETICS MELLITUS TYPE 2 USING IN SILICO METHOD

• Main Author: Sekar Kristiany, Putri
• Format: Final Project
• Language: Indonesia
• Subjects: Kimia
• Online Access: https://digilib.itb.ac.id/gdl/view/75534
• Institution: Institut Teknologi Bandung

Currently, Diabetes is a growing health problem and a treat in the world. In 2021, the Atlas International Federation Diabetics Federation noted that the number of people with diabetes in Indonesia reached 19,465 million. Also, Indonesia is in the top 5 countries for the number of people with diabetes in ASEAN. Diabetes is a metabolic disorder in the body characterized by hyperglycemia, which is an increase in blood sugar. In Indonesia, the type of diabetes with the highest prevalence is diabetes mellitus type II. Diabetes mellitus Type II can be treated by administering oral anti-diabetic drugs in the form of sulfonilurea class compounds. Sulfonilurea works by reducing high blood sugar levels in patients by stimulating the ATP-potassium protein of pancreatic beta cells to be able to secrete insulin. The best sulfonilurea anti-diabetic drug is glimepiride. However, currently glimepiride still has the potential to cause hypoglycemia. In this experiment, molecular docking simulations and reaction research were applied to glimepiride derivative compounds with nitration reactions to produce nitro-glimepiride. The results of molecular docking simulations showed that nitro-glimepiride has more potential than glimepiride and sulfo-glimepiride to be a candidate for anti-diabetes mellitus type II drug compounds as beta blockers because it has interactions with K-ATP receptors that are similar to ATP, the body's natural ligand, with a small binding energy value of 9.58 kkal/mol. Also, nitro-glimepiride has more potential than glimepiride and sulfo-glimepiride to act as a DPP-4 inhibitor because the binding energy of nitro-glimepiride with the DPP-4 protein is lower at 8.905 kkal/mol. From the potential of nitro-glimepiride as anti-diabetes mellitus type II which is better than glimepiride and sulfo-glimepiride, it is necessary to synthesize nitro- glimepiride compounds with nitration reactions on glimepiride. The results of the study of the nitration reaction on glimepiride with concentrated sulfuric acid catalyst to obtain nitro-glimepiride compounds were not formed due to the presence of amide groups on glimepiride hydrolyzed by acid.