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生物亲和超滤结合高效液相色谱-电喷雾串联四级杆飞行时间质谱用于筛选[植物名称]茎中的潜在生物活性成分及计算机模拟分析

Bioaffinity Ultrafiltration Combined with HPLC-ESI-qTOF-MS/MS for Screening Potential Bioactive Components from the Stems of and In Silico Analysis.

作者信息

Hsieh Yu-Hui, Chuang Wu-Chang, Lee Ming-Chung, Fan Yu-Hsin, Huang Nai-Kuei, Chen Jih-Jung

机构信息

Biomedical Industry Ph.D. Program, School of Life Sciences, National Yang Ming Chiao Tung University, Taipei 112304, Taiwan.

Brion Research Institute of Taiwan, New Taipei City 231030, Taiwan.

出版信息

Antioxidants (Basel). 2024 Jul 29;13(8):918. doi: 10.3390/antiox13080918.

DOI:10.3390/antiox13080918
PMID:39199164
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11351458/
Abstract

is a perennial herb, and its stems are high-grade tea and nourishing medicinal materials. Various solvent extracts of were evaluated for their anti-inflammatory, anti-acetylcholinesterase (AChE), antioxidant, and anti-α-glucosidase properties. Acetone and EtOAc extracts showed significant antioxidant effects. Acetone, -hexane, and EtOAc extracts revealed potent inhibition against α-glucosidase. EtOAc, -hexane, and dichloromethane extracts displayed significant anti-AChE activity. Among the isolated constituents, gigantol, moscatin, and dendrophenol showed potent antioxidant activities in FRAP, DPPH, and ABTS radical scavenging tests. Moscatin (IC = 161.86 ± 16.45 μM) and dendrophenol (IC = 165.19 ± 13.25 μM) displayed more potent anti-AChE activity than chlorogenic acid (IC = 236.24 ± 15.85 μM, positive control). Dendrophenol (IC = 14.31 ± 3.17 μM) revealed more efficient anti-NO activity than quercetin (positive control, IC = 23.09 ± 1.43 μM). Analysis of AChE and iNOS inhibitory components was performed using molecular docking and/or the bioaffinity ultrafiltration method. In bioaffinity ultrafiltration, the binding affinity of compounds to the enzyme (acetylcholinesterase and inducible nitric oxide synthase) was determined using the enrichment factor (EF). Among the main components of the EtOAc extract from stem, moscatin, dendrophenol, gigantol, and batatasin III with acetylcholinesterase exhibited the highest binding affinities, with affinity values of 66.31%, 59.48%, 54.60%, and 31.87%, respectively. Moreover, the affinity capacity of the identified compounds with inducible nitric oxide synthase can be ranked as moscatin (88.99%) > dendrophenol (65.11%) > gigantol (44.84%) > batatasin III (27.18%). This research suggests that the bioactive extracts and components of stem could be studied further as hopeful candidates for the prevention or treatment of hyperglycemia, oxidative stress-related diseases, and nervous disorders.

摘要

是一种多年生草本植物,其茎是优质茶叶和滋补药材。对其各种溶剂提取物的抗炎、抗乙酰胆碱酯酶(AChE)、抗氧化和抗α-葡萄糖苷酶特性进行了评估。丙酮和乙酸乙酯提取物显示出显著的抗氧化作用。丙酮、正己烷和乙酸乙酯提取物对α-葡萄糖苷酶有强效抑制作用。乙酸乙酯、正己烷和二氯甲烷提取物表现出显著的抗AChE活性。在分离出的成分中,巨球姜酚、莫斯卡亭和树兰酚在FRAP、DPPH和ABTS自由基清除试验中显示出强效抗氧化活性。莫斯卡亭(IC = 161.86 ± 16.45 μM)和树兰酚(IC = 165.19 ± 13.25 μM)比绿原酸(IC = 236.24 ± 15.85 μM,阳性对照)表现出更强的抗AChE活性。树兰酚(IC = 14.31 ± 3.17 μM)比槲皮素(阳性对照,IC = 23.09 ± 1.43 μM)表现出更高效的抗NO活性。使用分子对接和/或生物亲和超滤法对AChE和iNOS抑制成分进行了分析。在生物亲和超滤中,使用富集因子(EF)测定化合物与酶(乙酰胆碱酯酶和诱导型一氧化氮合酶)的结合亲和力。在该植物茎的乙酸乙酯提取物的主要成分中,莫斯卡亭、树兰酚、巨球姜酚和对羟基苯甲基丙酮与乙酰胆碱酯酶表现出最高的结合亲和力,亲和力值分别为66.31%、59.48%、54.60%和31.87%。此外,所鉴定化合物与诱导型一氧化氮合酶的亲和能力排序为:莫斯卡亭(88.99%)>树兰酚(65.11%)>巨球姜酚(44.84%)>对羟基苯甲基丙酮(27.18%)。本研究表明,该植物茎的生物活性提取物和成分有望作为预防或治疗高血糖、氧化应激相关疾病和神经紊乱的候选药物进行进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/cc1f2929304e/antioxidants-13-00918-g005a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/c3a5eb4d8294/antioxidants-13-00918-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/56e5d2f5d3e5/antioxidants-13-00918-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/7e2a54104449/antioxidants-13-00918-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/e2e843fee1cc/antioxidants-13-00918-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/cc1f2929304e/antioxidants-13-00918-g005a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/c3a5eb4d8294/antioxidants-13-00918-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/56e5d2f5d3e5/antioxidants-13-00918-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/7e2a54104449/antioxidants-13-00918-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/e2e843fee1cc/antioxidants-13-00918-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/46bf/11351458/cc1f2929304e/antioxidants-13-00918-g005a.jpg

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