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来自南极洲的石蕊科石蕊属和冰岛衣属植物的超高效液相色谱-质谱化学指纹图谱及其抗氧化、酶抑制、抗炎的计算机模拟活性和细胞保护活性

UHPLC-MS Chemical Fingerprinting and Antioxidant, Enzyme Inhibition, Anti-Inflammatory In Silico and Cytoprotective Activities of and (Cladoniaceae) from Antarctica.

作者信息

Torres-Benítez Alfredo, Ortega-Valencia José Erick, Sánchez Marta, Hillmann-Eggers Mathias, Gómez-Serranillos María Pilar, Vargas-Arana Gabriel, Simirgiotis Mario J

机构信息

Instituto de Farmacia, Facultad de Ciencias, Universidad Austral de Chile, Campus Isla Teja, Valdivia 5090000, Chile.

Tecnológico Nacional de México, Instituto Tecnológico de Tlalnepantla, Av. Instituto Tecnológico, S/N. Col. La Comunidad, Tlalnepantla de Baz 54070, Mexico.

出版信息

Antioxidants (Basel). 2022 Dec 21;12(1):10. doi: 10.3390/antiox12010010.

DOI:10.3390/antiox12010010
PMID:36670872
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9854829/
Abstract

The lichen species and (Cladoniaceae) are widely distributed in the island archipelago of maritime Antarctica and represent a natural resource of scientific interest. In this work, the metabolomic characterization of the ethanolic extracts of these species and the determination of the antioxidant activity, enzymatic inhibition and anti-inflammatory potential of selected compounds on the 5-lipoxygenase enzyme by molecular docking and cytoprotective activity in the SH-SY5Y cell line were carried out. Nineteen compounds were identified by liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UHPLC-ESI-QTOF-MS) in each of the species. The contents of phenolic compounds, antioxidant activity, the inhibition of cholinesterases (acetylcholinesterase and butyrylcholinesterase) and digestive enzymes (α-glucosidase and pancreatic lipase) were variable among species, with better results in . Molecular docking evidenced significant binding affinities of some compounds for the 5-lipoxygenase enzyme, together with outstanding pharmacokinetic properties. Both extracts were shown to promote cell viability and a reduction in reactive oxygen species production in an HO-induced oxidative stress model. This study contributes to the chemical knowledge of the species and demonstrates the biological potential for the prevention and promising treatment of central nervous system pathologies, inflammatory disorders and metabolic alterations.

摘要

地衣物种(石蕊科)广泛分布于南极海洋群岛,是具有科学研究价值的自然资源。在这项工作中,对这些物种的乙醇提取物进行了代谢组学表征,并通过分子对接和在SH-SY5Y细胞系中的细胞保护活性,测定了所选化合物对5-脂氧合酶的抗氧化活性、酶抑制和抗炎潜力。通过液相色谱-四极杆-飞行时间质谱联用(UHPLC-ESI-QTOF-MS)在每个物种中鉴定出19种化合物。酚类化合物的含量、抗氧化活性、胆碱酯酶(乙酰胆碱酯酶和丁酰胆碱酯酶)和消化酶(α-葡萄糖苷酶和胰脂肪酶)的抑制作用在不同物种间存在差异,[具体物种名称]表现出更好的结果。分子对接证明了一些化合物对5-脂氧合酶具有显著的结合亲和力,以及出色的药代动力学性质。在HO诱导的氧化应激模型中,两种提取物均显示出促进细胞活力和减少活性氧产生的作用。本研究有助于了解[具体物种名称]的化学知识,并证明其在预防和有望治疗中枢神经系统疾病、炎症性疾病和代谢紊乱方面的生物学潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/e7c94d8b6cc4/antioxidants-12-00010-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/36678cdd1da7/antioxidants-12-00010-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/919a6af8f785/antioxidants-12-00010-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/1e135f152122/antioxidants-12-00010-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/5ca549c464be/antioxidants-12-00010-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/f7fb376259cc/antioxidants-12-00010-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/8a56c7e28032/antioxidants-12-00010-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/5abc099fe9d3/antioxidants-12-00010-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/f2c380cabe65/antioxidants-12-00010-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/1c018b55671e/antioxidants-12-00010-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/e7c94d8b6cc4/antioxidants-12-00010-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/36678cdd1da7/antioxidants-12-00010-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/919a6af8f785/antioxidants-12-00010-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/1e135f152122/antioxidants-12-00010-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/5ca549c464be/antioxidants-12-00010-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/f7fb376259cc/antioxidants-12-00010-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/8a56c7e28032/antioxidants-12-00010-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/5abc099fe9d3/antioxidants-12-00010-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/f2c380cabe65/antioxidants-12-00010-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/1c018b55671e/antioxidants-12-00010-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de44/9854829/e7c94d8b6cc4/antioxidants-12-00010-g010.jpg

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