FIRST STUDY ON ANTI-DIABETIC EFFECT OF ROSEMARY AND SALVIA BY USING MOLECULAR DOCKING

Abstract

Nowadays use of medicinal plants and traditional medicine is important research subject over the world attracting researchers from different research filed to look for less use of synthesized drugs because of their secondary 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 saving time and money in studying medicinal plants role by prediction of molecules inhibition actions of enzymes. Rosemary and Salvia (it’s suitable that author use the latin name of the plants) have been the subject of many classic studies for therapeutic use (antioxidant, antiseptic...) but never (see references of some studies related to antidiabetic effect of rosemary) studied for anti-diabetic effect. In our study we predict interaction of main terpanoids from Rosemary and Salvia by investigating inhibition process of DPP-4 enzyme using Molecular Operating Environment software. Obtained results show and describe capacity of natural’s molecules from Rosemary and Salvia in inhibition of DPP-4 enzyme. The molecule from Rosemary and Salvia which is the best inhibitor of DPP-4 has been identified.

Keywords

• diabetes type 2 - rosemary - salvia- dpp4 enzyme –molecular modeling- medicinal plants