Identification de nouveaux inhibiteurs de l’alpha glucosidase en tantqu’une stratégie thérapeutique pour traiter le diabète de type 2

Abstract

Non-insulin-dependent diabetes is a metabolic disease characterized by a chronic excess of sugar in the blood. Alpha-glucosidase is a key enzyme in the digestion of carbohydrates, making it an important therapeutic target in the treatment of this pathology. Focused on treating type 2 diabetes, we used molecular docking with the Surflex-dock program to identify new and more potent inhibitors of alpha-glucosidase. With a correlation coefficient between the affinity of 44 different complexes simulated by molecular docking and the biological activity determined in vitro equal to 0.71, the performance of the Surflex-dock program is proven.The virtual screening of a collection of chemical similars to the reference drug, acarbose, highlights compound ID_10815496 as a potential novel alpha-glucosidase inhibitor with higher affinity than acarbose, both having comparable interaction with the binding site of the enzyme with interesting physical chemistry and pharmacokinetic properties.This study highlighted the compound CID_10815496 as novel antidiabetic agent