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

Abstract

In this work, the electrochemistry of the ethanolic leaf extract of Melissa officinalis L., as an herbal medicine, was studied. The antioxidant activity of the plant was evaluated using the cyclic voltammetry technique. The results showed that this extract is oxidized at low potentials compared to quercetin, salicylic acid and gallic acid as standard synthetic antioxidants. It was also concluded that the increase in the antioxidant activity causes a decrease in Ep A 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 the 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) was investigated through molecular docking studies. The interaction of rosmarinic acid with Thyosine exhibited the most inhibitory effect with -10.5 kJ mol-1 binding affinity value. The results indicated that the rosmarinic acid is bound exclusively to the binding sites of the ROS generating enzymes and has 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 can participate in the chemical reaction with captopril and reduce the concentration of the active form of this drug.