挥发油或精油(EOs)从三个蛇形弧菌样品中提取(标记为A,B,和C)在2018年9月和2019年2月;提取过程涉及叶子的加氢蒸馏。使用气相色谱-质谱(GC/MS)分析E0的化学组成。通过将其保留指数和质谱与文献(ADAMS)中记录的标准物质进行比较来鉴定挥发性成分。使用2,2-二苯基-1-吡啶酰肼(DPPH)评估EOs的抗氧化活性,而它们的毒性是使用卤虫salinaLeach评估的。分子对接用于检查V.sebiferaEO的主要成分与乙酰胆碱酯酶(AChE)之间的相互作用,与盐藻模型毒性相关的分子靶标。从样品A获得的EO,收集于2018年9月,其特点是主要由(E,E)-α-法尼烯(47.57%),(E)-石竹烯(12.26%),和α-pine烯(6.93%)。相反,样品A的EO,收集于2019年2月,主要由(E,E)-α-法尼烯(42.82%),(E)-石竹烯(16.02%),和双环醇(8.85%),来自样品B的EO,收集于2018年9月,主要包含(E,E)-α-法尼烯(47.65%),(E)-石竹烯(19.67%),和α-pine烯(11.95%),2019年2月收集的树叶中的EO特征为(E,E)-α-法尼烯(23.57%),(E)-石竹烯(19.34%),和雌二醇D(7.33%)。2018年9月收集的树叶中的EO包含(E,E)-α-法尼烯(26.65%),(E)-石竹烯(15.7%),和雌二醇D(7.72%),而2019年2月收集的树叶中的EO主要特征为(E,E)-α-法尼烯(37.43%),(E)-石竹烯(21.4%),和α-pine烯(16.91%)。在这些EO中,2019年2月收集的样品B显示出抑制自由基的最高潜力,抑制率为34.74%。相反,来自样本A的EO表现出最高的毒性潜力,致死浓度50(LC50)值为57.62±1.53µg/mL,而样本B的LC50值为74.72±2.86µg/mL。分子对接结果表明,疏水相互作用显着促进了来自样品B的EO中的主要化合物与AChE的结合袋的结合。
Volatile oils or essential oils (EOs) were extracted from three V. sebifera samples (labeled as A, B, and C) in September 2018 and February 2019; the extraction process involved hydrodistillation of the leaves. The chemical compositions of the EOs were analyzed using gas chromatography-mass spectrometry (GC/MS). The volatile components were identified by comparing their retention indices and mass spectra with standard substances documented in the literature (ADAMS). The antioxidant activity of the EOs was evaluated using 2, 2-diphenyl-1-picrylhydrazyl (DPPH), while their toxicity was assessed using Artemia salina Leach. Molecular docking was utilized to examine the interaction between the major constituents of V. sebifera EO and acetylcholinesterase (AChE), a molecular target linked to toxicity in A. salina models. The EO obtained from specimen A, collected in September 2018, was characterized by being primarily composed of (E,E)-α-farnesene (47.57%), (E)-caryophyllene (12.26%), and α-pinene (6.93%). Conversely, the EO from specimen A, collected in February 2019, was predominantly composed of (E,E)-α-farnesene (42.82%), (E)-caryophyllene (16.02%), and bicyclogermacrene (8.85%), the EO from specimen B, collected in September 2018, primarily contained (E,E)-α-farnesene (47.65%), (E)-caryophyllene (19.67%), and α-pinene (11.95%), and the EO from the leaves collected in February 2019 was characterized by (E,E)-α-farnesene (23.57%), (E)-caryophyllene (19.34%), and germacrene D (7.33%). The EO from the leaves collected in September 2018 contained (E,E)-α-farnesene (26.65%), (E)-caryophyllene (15.7%), and germacrene D (7.72%), while the EO from the leaves collected in February 2019 was primarily characterized by (E,E)-α-farnesene (37.43%), (E)-caryophyllene (21.4%), and α-pinene (16.91%). Among these EOs, sample B collected in February 2019 demonstrated the highest potential for inhibiting free radicals, with an inhibition rate of 34.74%. Conversely, the EOs from specimen A exhibited the highest toxic potentials, with an lethal concentration 50 (LC50) value of 57.62 ± 1.53 µg/mL, while specimen B had an LC50 value of 74.72 ± 2.86 µg/mL. Molecular docking results suggested that hydrophobic interactions significantly contributed to the binding of the major compounds in the EO from sample B to the binding pocket of AChE.