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Phytochemical Study and Antibacterial Effects of Fraxinus angustifolia Vahl (Algeria): Experimental and Computational Investigations
Waste and Biomass Valorization ( IF 3.2 ) Pub Date : 2020-09-19 , DOI: 10.1007/s12649-020-01240-w
Nafila Zouaghi , Nour El Houda Bensiradj , Carlos Cavaleiro , Boubekeur Nadjemi , Mohamed Trari

Abstract

We investigated experimentally the composition of volatile isolates from the leaves and seeds of fraxinus angustifolia Vahl and their antimicrobial activity. The experimental work was supported by a theoretical study, using the Functional Density Theory. The calculations were performed at the B3LYP/6–31 g-d, p), in order to determine the structures of major volatile compounds and the different descriptors of reactivity and biological activity. The chemical composition of the volatile isolates obtained by hydrodistillation of the leaves and seeds are evaluated by the analytical method of gas chromatography-mass spectrometry (GC-MS). We found that the leaves are composed of abundant compounds, specifically, docosane methyl (30.2%), n-Pentacosane (28.5), α-cadinol (9.0%) and T-muurolol (5.9%). Moreover, the isolate from the seeds, is found to be mainly composed of α-cadinol (23.2%) and epi-methyljasmonate (34. 2%). Additionally, we perform antimicrobial activity tests on the volatile isolated using the zone of inhibition (agar disk-diffusion method) of four bacteria strains, mainly, Staphylococcus aureus, Bacillus subtilis, Pseudomonas aeruginosa and Escherichia coli. The values of leaves range from 100 to 300 µg of volatile compounds, whereas for the seeds the values lie between 20 and 300 µg. Furthermore, antifungal susceptibility tests are conducted on two yeast strains: Saccharomyces cerevisiae and Candida albicans. The seeds have a better inhibition than the leaves, with 20 and 300 µg respectively. The chemical compositions of the volatile fractions of leaves and seeds are correlated with the antimicrobial results. The reactivity descriptors are calculated to determine stability and microbiological activity of the above compounds. The Isopimaradiene presents the higher microbiological activity and the most stable T-muurololis.

Graphic Abstract



中文翻译:

水曲柳(阿尔及利亚)的植物化学研究和抗菌作用:实验和计算研究

摘要

我们通过实验研究了来自水曲柳叶片和种子的挥发性分离物的组成瓦尔及其抗菌活性。实验工作得到了使用功能密度理论的理论研究的支持。为了确定主要挥发性化合物的结构以及反应性和生物活性的不同描述,计算在B3LYP / 6–31 gd,p)下进行。通过气相色谱-质谱联用法(GC-MS)的分析方法评估通过对叶片和种子进行水蒸馏得到的挥发性分离物的化学成分。我们发现叶子是由丰富的化合物组成的,具体来说是十二烷甲基(30.2%),正戊烷(28.5),α-蓖麻醇(9.0%)和T-茂洛尔(5.9%)。此外,发现从种子中分离出的分离物主要由α-cadinol(23.2%)和表茉莉甲酯(34. 2%)组成。另外,金黄色葡萄球菌,枯草芽孢杆菌铜绿假单胞菌大肠杆菌。叶子的挥发性化合物含量为100至300 µg,而种子的含量为20至300 µg。此外,还对两种酵母菌株进行了抗真菌药敏试验:酿酒酵母白色念珠菌。种子具有比叶子更好的抑制作用,分别为20和300 µg。叶子和种子的挥发性部分的化学组成与抗菌效果相关。计算反应性描述符以确定上述化合物的稳定性和微生物活性。异麦二磷烯具有较高的微生物活性和最稳定的T-muurololis。

图形摘要

更新日期:2020-09-20
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