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通过色谱策略从痕量部分中分离抗氧化剂及其抗氧化活性的分子模拟研究。

Separation of Antioxidants from Trace Fraction of via Chromatographic Strategy and Their Antioxidant Activity Supported with Molecular Simulations.

机构信息

Wuxi School of Medicine, Jiangnan University, Wuxi 214122, China.

School of Biotechnology, Jiangnan University, Wuxi 214122, China.

出版信息

Int J Mol Sci. 2023 Dec 22;25(1):227. doi: 10.3390/ijms25010227.

DOI:10.3390/ijms25010227
PMID:38203398
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10778596/
Abstract

Antioxidants from natural sources have long been of interest to researchers. In this paper, taking the traditional Tibetan medicine as an example, an integrated approach was used to identify and isolate its chemical composition with free-radical-scavenging properties from its ethanol extract. First, the ethanol extract of was pretreated using polyamide medium-pressure liquid chromatography (polyamide-MPLC), and the target fraction (Fr4) was obtained. Then, a combined HPLC mode was utilized to purify antioxidants in Fr4 under the guidance of an online HPLC-1,1-diphenyl-2-picrylhydrazyl (HPLC-DPPH) activity screening system. Finally, three antioxidants (3-caffeoylquinic acid methyl ester, rutin, and myricetin-3'-α-L-rhamnopyranoside) were isolated, and this is the first report of their presence in . Further molecular docking studies showed that the antioxidants exhibited good binding with HO-1, Nrf2, and iNOS. In conclusion, this comprehensive approach is capable of extracting high-purity antioxidants from trace fractions of and holds promise for future applications in the exploration of the chemical compositions and bioactivity of natural products.

摘要

天然抗氧化剂一直是研究人员感兴趣的对象。在本文中,以传统藏药为例,采用综合方法从其乙醇提取物中鉴定和分离具有自由基清除活性的化学成分。首先,采用聚酰胺中压液相色谱(polyamide-MPLC)对进行预处理,得到目标馏分(Fr4)。然后,在在线 HPLC-1,1-二苯基-2-苦基肼(HPLC-DPPH)活性筛选系统的指导下,采用组合 HPLC 模式对 Fr4 中的抗氧化剂进行纯化。最后,分离得到三种抗氧化剂(3-咖啡酰奎宁酸甲酯、芦丁和杨梅素-3'-α-L-鼠李吡喃糖苷),这是它们在藏药中的首次报道。进一步的分子对接研究表明,这些抗氧化剂与 HO-1、Nrf2 和 iNOS 具有良好的结合能力。总之,这种综合方法能够从藏药的痕量馏分中提取高纯度的抗氧化剂,有望在未来用于探索天然产物的化学成分和生物活性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/535b9510b345/ijms-25-00227-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/6aea2139dbb4/ijms-25-00227-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/3cc2e5fa5b9f/ijms-25-00227-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/1f9c4221859f/ijms-25-00227-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/ccf2cce3a763/ijms-25-00227-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/3e1a70d380af/ijms-25-00227-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/5738c0d3a6f6/ijms-25-00227-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/535b9510b345/ijms-25-00227-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/6aea2139dbb4/ijms-25-00227-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/3cc2e5fa5b9f/ijms-25-00227-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/1f9c4221859f/ijms-25-00227-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/ccf2cce3a763/ijms-25-00227-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/3e1a70d380af/ijms-25-00227-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/5738c0d3a6f6/ijms-25-00227-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ced6/10778596/535b9510b345/ijms-25-00227-g007.jpg

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