First Study on Anti-diabetic Effect of Rosemary and Salvia by Using Molecular Docking

Nowadays use of herbs as medicines is important research subject over the world attracting researchers from different research filed to look for less use of synthetic drugs because of their side effects on human health. In this paper we use molecular modeling and molecular docking as tools for valorization of natural’s plants in medicinal use. Computational chemistry permits a significant gain of time and money in studying medicinal plants role by prediction of molecules inhibition actions of enzymes. Rosemary and Salvia have been the subject of many classic studies for therapeutic use (antioxidant, antiseptic...) but never studied for their anti-diabetic activity only with molecular docking (especially Salvia). In our study we predict interaction of main terpenoids from Rosemary and Salvia by investigating inhibition process of DPP-4 enzyme using Molecular Operating Environment software (MOE). Obtained results show and describe capacity of natural’s molecules from Rosemary and Salvia in inhibition of DPP-4. The molecules from Rosemary and Salvia which are the best inhibitors of DPP-4 have been identified.