Phytochemical and Biological Activity Evaluation of Globularia orientalis L

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Abstract Globularia orientalis L., a member of the Oleaceae family, is well-adapted to warm climates and a medicinal and aromatic plant traditionally used in treatment methods. In this study, 80% ethanol extract of G. orientalis was obtained, and its enzyme inhibition activity, antioxidant, antimicrobial, and anticancer activities were investigated. Additionally, the metabolic properties of the plant were elucidated through in silico methods. The data revealed '2-Propenoic acid, tridecyl ester' as the major component of this plant. Furthermore, G. orientalis exhibited potent antioxidant activity, and its cytotoxic activity against breast cancer was found to be robust. G. orientalis' chemical constituents were shown to have different actions against breast cancer protein (PDB ID: 1A52 and 1JNX), anti-oxidant protein (PDB ID: 1HD2), AChE enzyme protein (PDB ID: 4M0E), BChE enzyme protein (PDB ID: 5NN0), and α-Gly protein (PDB ID: 1R47). High-activity compounds were subjected to ADME/T analysis. To investigate how compounds in the plant G. orientalis L. affect human metabolism, ADME/T calculations were performed. In conclusion, these findings suggest the need for continued research through activity-guided fractionation to identify the compounds responsible for these effects in future studies. Lastly, the binding free energy of the molecule with the best docking score is computed using MM/GBSA techniques.