Rădulescu Matilda, Jianu Călin, Lukinich-Gruia Alexandra Teodora, Mioc Marius, Mioc Alexandra, Șoica Codruța, Stana Loredana Gabriela
Faculty of Medicine, "Victor Babeş" University of Medicine and Pharmacy, Eftimie Murgu Square 2, RO-300041 Timișoara, Romania.
Faculty of Food Engineering, Banat's University of Agricultural Sciences and Veterinary Medicine "King Michael I of Romania" from Timisoara, Calea Aradului 119, RO-300645 Timișoara, Romania.
Antioxidants (Basel). 2021 Jul 5;10(7):1081. doi: 10.3390/antiox10071081.
The investigation aimed to study the in vitro and in silico antioxidant properties of subsp. 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 -carotene bleaching assays. The half-maximal inhibitory concentration (IC) 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 -carotene bleaching assay by neutralizing hydroperoxides, responsible for the oxidation of highly unsaturated -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.
该研究旨在探讨肉豆蔻亚种精油（MOEO）的体外和计算机模拟抗氧化特性。采用气相色谱-质谱联用（GC-MS）分析法测定了MOEO的化学成分。在MOEO中鉴定出的36种化合物中，主要成分分别为β-荜澄茄烯（27.66%）、β-石竹烯（27.41%）、α-杜松烯（4.72%）、石竹烯氧化物（4.09%）和α-杜松醇（4.07%）。通过2,2'-联氮-双-（3-乙基苯并噻唑啉-6-磺酸）（ABTS）和2,2-二苯基-1-苦基肼（DPPH）自由基清除以及抑制β-胡萝卜素漂白试验，研究了MOEO的体外抗氧化特性。ABTS和DPPH自由基清除能力的半数抑制浓度（IC）分别为1.225±0.011μg/mL和14.015±0.027μg/mL，表明其具有良好的抗氧化活性。此外，MOEO在β-胡萝卜素漂白试验中通过中和导致高度不饱和β-胡萝卜素氧化的氢过氧化物，表现出强烈的抑制作用（94.031±0.082%）。此外，分子对接显示，MOEO成分可通过抑制黄嘌呤氧化还原酶发挥体外抗氧化活性。最具活性的结构是MOEO中的次要成分（约6%），其中对靶蛋白亲和力最高的是香芹酚。
