A Note Study on Antidiabetic Effect of Main Molecules Contained in Clove Using Molecular Modeling Interactions with DPP-4 Enzyme

Abstract

Clove (Syzygium aromaticum) is precious spice used over the world in cuisine and medical treatment. Essential clove oil contains many bioactive molecules which have therapeutic interest. In this work we study interactions of DPP-4 enzyme (responsible of diabetes type 2) with main molecules contained in clove essential oil using molecular mechanic, molecular dynamics and molecular docking (method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex). Molecular Operating Environment software was used. The obtained results show that Acetyleugenol molecule is the best inhibitor of DPP-4 enzyme according to score energy. As a conclusion we can say that clove has a significant influence on diabetes treatment.