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

ABSTRACT: The investigation aimed to study the in vitro and in silico antioxidant properties of Melissa officinalis subsp. officinalis 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 β-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 β-carotene bleaching assay by neutralizing hydroperoxides, responsible for the oxidation of highly unsaturated β-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.

SUBMITTER: Radulescu M

PROVIDER: S-EPMC8301138 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:BackgroundNowadays, light-emitting diodes (LEDs) as a new lighting technology, have been emerged as an alternative source of light for plants due to their wavelength specificity, the narrow width of their bands, small size, solid structure, long lifetime, and low heat generation. Here we investigated the effect of different LED light sources on the essential oil components and antioxidant activity of Melissa officinalis. Two genotypes of lemon balm (Ilam and Isfahan) were subjected to four artificial light treatments, including white, red, blue, red + blue LEDs, and greenhouse light as natural lighting.ResultsThe LED lights significantly increased shoot fresh and dry weights and leaf number in the two genotypes as compared to greenhouse condition. The results showed that the content and composition of essential oil in the two genotypes were variable under different light treatments and the total amount of compounds in the Ilam genotype was higher than the other genotype. The results of analysis of the essential oil by GC/MS indicated that the highest amount of monoterpenes in the genotypes was related to citronellal under red + blue LED lamps (15.3 and 17.2% in Ilam and Isfahan genotypes, respectively) but blue, white, and greenhouse condition had the most effect on sesquiterpenes content in both genotypes. The results showed that the observed variation between the two genotypes in the essentials oil composition was related to the relative percentage of the constituents and not to the appearance or lack of a specific component. Red + blue lighting also provided the highest radical scavenging activity in both genotypes (80.77 and 82.09% for Ilam and Isfahan genotypes, respectively). Based on principal component analyses (PCA), three main groups were identified regarding genotypes and all light treatments.ConclusionsOverall, results indicated that the essentials oil composition of two genotypes of lemon balm was affected both qualitatively and quantitatively by different LED light sources; hence, LED lights might be used to improve monoterpenes, sesquiterpenes, and antioxidant activity in the selected genotypes.

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

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