Novel anti-acetylcholinesterase effect of Euonymus laxiflorus Champ. extracts via experimental and in silico studies

doi:10.3390/life13061281

淡江大學機構典藏 > 理學院 > 化學學系暨研究所 > 期刊論文 > Item 987654321/124134

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题名:	Novel anti-acetylcholinesterase effect of Euonymus laxiflorus Champ. extracts via experimental and in silico studies
作者:	VB, Nguyen;SL, Wang;TQ, Phan;MD, Doan;TKT, Phan;TKT, Phan;THT, Pham;AD, Nguyen
关键词:	Alzheimer;acetylcholinesterase inhibitors;Euonymus laxiflorus Champ.;bioactive compounds;medicinal plants
日期:	2023-05-30
上传时间:	2023-06-01 12:05:18 (UTC+8)
出版者:	MDPI AG
摘要:	Alzheimer’s disease (AD) is the most common form of dementia, which is recorded as a global health issue. Natural acetylcholinesterase inhibitors (AChEIs) are considered a helpful therapy for the management of symptoms of patients with mild-to-moderate AD. This work aimed to investigate and characterize Euonymus laxiflorus Champ. (ELC) as a natural source of AChEIs compounds via in vitro and virtual studies. The screening parts used, including the leaves, heartwood, and trunk bark of ELC, revealed that the trunk bark extract possessed the highest activity, phenolics and flavonoid content. The in vitro anti-Alzheimer activity of ELC trunk bark was notably reclaimed for the first time with comparable effect (IC50 = 0.332 mg/mL) as that of a commercial AChEI, berberine chloride (IC50 = 0.314 mg/mL). Among various solvents, methanol was the most suitable to extract ELC trunk bark with the highest activity. Twenty-one secondary metabolites (1–21) were identified from ELC trunk bark extract, based on GCMS and UHPLC analyses. Of these, 10 volatile compounds were identified from this herbal extract for the first time. One phenolic (11) and seven flavonoid compounds (15–21) were also newly found in this herbal extract. Of the identified compounds, chlorogenic acid (11), epigallocatechin gallate (12), epicatechin (13), apigetrin (18), and quercetin (20) were major compounds with a significant content of 395.8–2481.5 μg/g of dried extract. According to docking-based simulation, compounds (11–19, and 21) demonstrated more effective inhibitory activity than berberine chloride, with good binding energy (DS values: −12.3 to −14.4 kcal/mol) and acceptable RMSD values (0.77–1.75 Å). In general, these identified compounds processed drug properties and were non-toxic for human use, based on Lipinski’s rule of five and ADMET analyses.
關聯:	Life 13(6), 1281
DOI:	10.3390/life13061281
显示于类别:	[化學學系暨研究所] 期刊論文

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