Phytochemical Composition, Biological Activity and Molecular Docking Studies of the Endemic Marrubium trachyticum Boiss.

Plants produce food sources such as carbohydrates, fats and proteins, as well as secondary metabolites such as terpenes, phenolics and alkaloids with quite different pharmacological effects. Many of the secondary metabolites produced by plants have very different biological activities. Although the amounts of these compounds in plants are usually small, their unique chemical structure contributes greatly to their pharmacological effects. However, considering the richness of our country's medicinal plant flora and the pharmacological effects of these plants, it can be said that the research on this subject is insufficient. In addition, studies on medicinal plants can be brought to the pharmaceutical industry by purifying natural products with high bioactivity and low side effects at very low cost. Medicinal and aromatic plants are known to have many uses such as food, medicine, cosmetics and spices and have been used for similar purposes since the beginning of human history. The family Lamiaceae is a cosmopolitan family that includes herbaceous, shrub or tree-shaped plants of great economic importance in many parts of the world. In this study, Marrubium trachyticum Boiss. plant, which is an endemic species for our country, belonging to the genus Marrubium selected from the family Lamiaceae, was examined. The phytochemical composition of hexane and methanol:chloroform (1:1) extracts of Marrubium trachyticum were analyzed quantitatively by GC-MS and LC-MS/MS. Antioxidant activities of the plant extracts and inhibitory activities for various enzymes were determined. In addition, molecular docking studies were performed to understand how the phytochemicals may have an effect on tyrosinase, α-amylase and α-glucosidase enzyme activities. Since there are no studies on the phytochemical composition and bioactivities of Marrubium trachyticum, the data obtained from this study will be recorded for the first time.