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具有抗氧化、抗菌、抗生物膜和群体感应抑制特性的罗勒水提取物的植物化学分析:体外和计算机模拟研究

Phytochemical Profiling of L. Aqueous Extract with Antioxidant, Antimicrobial, Antibiofilm, and Anti-Quorum Sensing Properties: In Vitro and In Silico Studies.

作者信息

Snoussi Mejdi, Noumi Emira, Hajlaoui Hafed, Bouslama Lamjed, Hamdi Assia, Saeed Mohd, Alreshidi Mousa, Adnan Mohd, Al-Rashidi Ayshah, Aouadi Kaïss, Ghannay Siwar, Ceylan Ozgur, De Feo Vincenzo, Kadri Adel

机构信息

Department of Biology, College of Science, University of Hail, P.O. Box 2440, Ha'il 2440, Saudi Arabia.

Laboratory of Genetics, Biodiversity and Valorisation of Bioressources, High Institute of Biotechnology, University of Monastir, Monastir 5000, Tunisia.

出版信息

Plants (Basel). 2022 Feb 11;11(4):495. doi: 10.3390/plants11040495.

DOI:10.3390/plants11040495
PMID:35214828
原文链接:
https://pmc.ncbi.nlm.nih.gov/articles/PMC8878528/
Abstract

The present study was the first to evaluate the phytochemical composition, antioxidant, antimicrobial, antibiofilm, and anti-quorum sensing potential of L. (hairy garlic) aqueous extract through in vitro and in silico studies. The phytochemical profile revealed the presence of saponins, terpenes, flavonols/flavonones, flavonoids, and fatty acids, particularly with flavonoids (231 ± 0.022 mg QE/g extract), tannins (159 ± 0.006 mg TAE/g extract), and phenols (4 ± 0.004 mg GAE/g extract). Gas chromatography-mass spectrometry (GC-MS) analysis identified 15 bioactive compounds, such as 5-hydroxymethylfurfural (37.04%), methyl methanethiolsulfonate (21.33%), furfural (7.64%), beta-D-glucopyranose, 1,6-anhydro- (6.17%), 1,6-anhydro-beta-D-glucofuranose (3.6%), trisulfide, di-2-propenyl (2.70%), and diallyl disulfide (1.93%). The extract was found to be non-toxic with 50% cytotoxic concentration higher than 30,000 µg/mL. The investigation of the antioxidant activity via DPPH (2, 2-diphenyl-1-picrylhydrazyl) and FRAP (IC = 1 μg/mL), ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid); IC = 0.698 ± 0.107 μg/mL), and β-carotene (IC = 0.811 ± 0.036 mg/mL) was assessed. Nevertheless, good antimicrobial potential against a diverse panel of microorganisms with bacteriostatic and fungistatic effect was observed. Quorum sensing inhibition effects were also assessed, and the data showed the ability of the extract to inhibit the production of violacein by the mutant strain in concentration-dependent manner. Similarly, the biofilm formation by all tested strains was inhibited at low concentrations. In silico pharmacokinetic and toxicological prediction indicated that, out of the sixteen identified compounds, fourteen showed promising drug ability and could be used as lead compounds for further development and drug design. Hence, these findings support the popular use of hairy garlic as a source of bioactive compounds with potential application for human health.

摘要

本研究首次通过体外和计算机模拟研究,评估了毛蒜(L.)水提取物的植物化学成分、抗氧化、抗菌、抗生物膜和群体感应抑制潜力。植物化学分析表明,提取物中存在皂苷、萜类、黄酮醇/黄酮酮、黄酮类化合物和脂肪酸,尤其是黄酮类化合物(231±0.022毫克QE/克提取物)、单宁(159±0.006毫克TAE/克提取物)和酚类(4±0.004毫克GAE/克提取物)。气相色谱-质谱联用(GC-MS)分析鉴定出15种生物活性化合物,如5-羟甲基糠醛(37.04%)、甲硫醇磺酸甲酯(21.33%)、糠醛(7.64%)、β-D-吡喃葡萄糖、1,6-脱水-(6.17%)、1,6-脱水-β-D-呋喃葡萄糖(3.6%)、三硫化物二-2-丙烯基(2.70%)和二烯丙基二硫化物(1.93%)。提取物被发现无毒,其50%细胞毒性浓度高于30,000微克/毫升。通过DPPH(2,2-二苯基-1-苦基肼)、FRAP(IC=1微克/毫升)、ABTS(2,2'-联氮-双-(3-乙基苯并噻唑啉-6-磺酸);IC=0.698±0.107微克/毫升)和β-胡萝卜素(IC=0.811±0.036毫克/毫升)评估了抗氧化活性。然而,观察到提取物对多种微生物具有良好的抗菌潜力,具有抑菌和抑真菌作用。还评估了群体感应抑制效果,数据表明提取物能够以浓度依赖的方式抑制突变菌株产生紫菌素。同样,在低浓度下,所有测试菌株的生物膜形成均受到抑制。计算机模拟的药代动力学和毒理学预测表明,在鉴定出的16种化合物中,有14种显示出有前景的药物活性,可作为进一步开发和药物设计的先导化合物。因此,这些发现支持了毛蒜作为生物活性化合物来源在人类健康方面潜在应用的广泛使用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/f4a1c830564f/plants-11-00495-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/d134de8ec1b4/plants-11-00495-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/41700a567e7c/plants-11-00495-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/61f648b7452a/plants-11-00495-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/f4a1c830564f/plants-11-00495-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/d134de8ec1b4/plants-11-00495-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/41700a567e7c/plants-11-00495-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/61f648b7452a/plants-11-00495-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff57/8878528/f4a1c830564f/plants-11-00495-g004.jpg

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