Chemical Composition, In Vitro and In Silico Antioxidant Potential of <i>Melissa officinalis</i> subsp. <i>officinalis</i> Essential Oil

• Main Authors: Matilda Rădulescu (Author), Călin Jianu (Author), Alexandra Teodora Lukinich-Gruia (Author), Marius Mioc (Author), Alexandra Mioc (Author), Codruța Șoica (Author), Loredana Gabriela Stana (Author)
• Format: Book
• Published: MDPI AG, 2021-07-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Summary

The investigation aimed to study the in vitro and in silico antioxidant properties of <i>Melissa officinalis</i> subsp. <i>officinalis</i> essential oil (MOEO). The chemical composition of MOEO was determined using GC-MS analysis. Among 36 compounds identified in MOEO, the main were beta-cubebene (27.66%), beta-caryophyllene (27.41%), alpha-cadinene (4.72%), caryophyllene oxide (4.09%), and alpha-cadinol (4.07%), respectively. In vitro antioxidant properties of MOEO have been studied in 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) free-radical scavenging, and inhibition of <i>β</i>-carotene bleaching assays. The half-maximal inhibitory concentration (IC₅₀) for the radical scavenging abilities of ABTS and DPPH were 1.225 ± 0.011 μg/mL and 14.015 ± 0.027 μg/mL, respectively, demonstrating good antioxidant activity. Moreover, MOEO exhibited a strong inhibitory effect (94.031 ± 0.082%) in the <i>β</i>-carotene bleaching assay by neutralizing hydroperoxides, responsible for the oxidation of highly unsaturated <i>β</i>-carotene. Furthermore, molecular docking showed that the MOEO components could exert an in vitro antioxidant activity through xanthine oxidoreductase inhibition. The most active structures are minor MOEO components (approximately 6%), among which the highest affinity for the target protein belongs to carvacrol.

Item Description

10.3390/antiox10071081
2076-3921