Study of Interaction between enzymes (maltase-glucoamylase (2QMJ) and glycogen synthase kinase-3 (3F7Z)) and Products Extracted from the Stevia Plant by Molecular Modeling

Hicham Ayachi; Meriem Merad; Said Ghalem

Abstract

Study of Interaction between enzymes (maltase-glucoamylase (2QMJ) and glycogen synthase kinase-3 (3F7Z)) and Products Extracted from the Stevia Plant by Molecular Modeling

Author(s): Hicham Ayachi, Meriem Merad and Said Ghalem

Molecular modeling techniques are widely used in chemical, pharmaceutical and agrochemical industries. Most current drugs target enzymes. This theoretical approach enables to predict the mode of interaction of a ligand with its receptor. The inhibition of enzymes maltase - glucoamylase (2QMJ) and glycogen synthase kinase-3 (3F7Z) is an important approach in the treatment of disease type 2 diabetes. Extraction of the stevia plant has given us an insight to develop new types of antidiabetic medication. Rebaudioside A and Stevioside are two major components of the stevia plant used for inhibiting 2QMJ et3F7Z. Our work is the study of molecular interaction between the enzymes (maltase - glucoamylase and Glycogen synthase kinase-3) and the substrates (Stevioside and Rebaudioside A). Various tools of molecular modeling are used to carry out this work (molecular mechanics, molecular dynamics and molecular docking) (MOE). Our research objective is to study the inhibition of maltase - glucoamylase and Glycogen synthase kinase-3 by molecular modeling methods. The introduction of bulky groups causes a conformational rearrangement in the active site pocket, which will probably be reinforced and thus complement its activity. The results obtained from this work, in which the inhibitions of maltase - glucoamylase and Glycogen synthase kinase-3 by molecular modeling methods have been demonstrated. In conclusion, taking into account the results obtained in this study, inhibition of maltase - glucoamylase and Glycogen synthase kinase-3 by molecular modeling methods has been elucidated, which allow us to conclude that Rebaudioside A and Stevioside have a better inhibition of maltase - glucoamylase and Glycogen synthase kinase-3.

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