Electrochemical Oxidation, Biological Evaluation, and Bioinformatics Approach for the Ethanolic Leaf Extract of Melissa officinalis L.

摘要

In this work, the electrochemical study of the ethanolic leaf extract of Melissa officinalis L. as herbal medicine was conducted. The antioxidant activity of the plant was evaluated using the cyclic voltammetry technique. The results showed that this extract was oxidized at low potentials compared with quercetin, salicylic acid and gallic acid as standard synthetic antioxidants. Also it concluded that the increase in the antioxidant activity cause a decrease in EpA and an increase in the number of hydroxyl groups on the aromatic ring. The DPPH assay (free radical scavenging activity) was applied in order to estimate antioxidant activity. The antioxidant activity of rosmarinic acid (as the main natural compound in this herb) against Cytochrome P450 3A4 (4D75), Myeloperoxidase (1DNW), and Thyosine (PBD ID: 3nm8) (reactive oxygen species (ROS) generating enzymes) has been investigated through molecular docking studies. The interaction of rosmarinic acid with Thyosine exhibited the most inhibitory effect with -10.5 kj/mol binding affinity value. The results indicated that the rosmarinic acid bound exclusively to the binding sites of the ROS generating enzymes and had a significant role in counteracting the destructive effects of oxidative stress in the biological system. Finally, the electrochemical oxidation of the ethanolic leaf extract of Melissa officinalis L., has been studied in the presence of captopril by cyclic voltammetry method in the biological pH range. The results showed that the electrochemically generated compounds from this herb participated in the chemical reaction with captopril and reduced the concentration of the active form of this drug.