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越南人参(Panax vietnamensis Ha & Grushv.)叶中的达玛烷型皂苷及其体外和计算机模拟的乙酰胆碱酯酶抑制作用

Dammarane-Type Saponins from the Leaves of Vietnamese Ginseng (Panax vietnamensis Ha & Grushv.) and Their Acetylcholinesterase Inhibition In Vitro and In Silico.

作者信息

Vu Van Tuan, Hieu Nguyen Ngoc, Hiep Dang Hoang, Anh Nguyen Thi Hoang, Ngan Dang Thi, Tung Pham Ha Thanh, Thuong Phuong Thien, Tung Nguyen Huu

机构信息

Faculty of Pharmacy, PHENIKAA University, Hanoi, 12116, Vietnam.

University of Medicine and Pharmacy, Vietnam National University, Hanoi (VNU), 144 Xuan Thuy St., Cau Giay, Hanoi, Vietnam.

出版信息

Chem Biodivers. 2025 Feb;22(2):e202401329. doi: 10.1002/cbdv.202401329. Epub 2024 Nov 9.

DOI:10.1002/cbdv.202401329
PMID:39363736
Abstract

Vietnamese ginseng (Panax vietnamensis Ha & Grushv.) represents one of the famous Panax spp. for valuable applications in both traditional and modern medicine; in which, its rhizome part has mainly been used as the medicinal materials based on the bioactive ginsenosides such as ginsenoside Rb1, ginsenoside Rg1, ginsenoside Rd, and majonoside R2. In modern medicine, the development of medicinal materials and utilization of medicinal plants are crucially based on standard bioactive ingredients, so this study to evaluate the leaves of Vietnamese ginseng as source of bioactive ginsenoside led to the identification of seven ginsenosides (1-7). Of them, ginsenoside Rd (2) and pseudoginsenoside RS1 (5) showed inhibitory effects on acetylcholinesterase in vitro with the IC values of 47.13 and 79.58 μM and supported by molecular docking analysis, in which ginsenoside Rd (2) and pseudoginsenoside RS1 (5) could play as allosteric inhibitors with high binding affinity (-8.5 and -9.4 kcal/mol) as evidenced by hydrogen bonding and hydrophobic interactions. The findings provided the scientific evidence for using the leaves of Vietnamese ginseng as an alternative source to the roots to enhance memory in traditional medicine as well as for further research on the anti-dementia effects of 2 and 5.

摘要

越南人参(Panax vietnamensis Ha & Grushv.)是著名的人参属植物之一,在传统医学和现代医学中都有重要应用;其中,其根茎部分主要作为药材使用,其生物活性成分如人参皂苷Rb1、人参皂苷Rg1、人参皂苷Rd和majonoside R2是其主要药用依据。在现代医学中,药材的开发和药用植物的利用关键基于标准生物活性成分,因此本研究对越南人参叶作为生物活性人参皂苷来源进行评估,结果鉴定出7种人参皂苷(1 - 7)。其中,人参皂苷Rd(2)和假人参皂苷RS1(5)在体外对乙酰胆碱酯酶具有抑制作用,IC值分别为47.13和79.58 μM,分子对接分析表明,人参皂苷Rd(2)和假人参皂苷RS1(5)可以作为变构抑制剂,通过氢键和疏水相互作用显示出高结合亲和力(-8.5和-9.4 kcal/mol)。这些发现为将越南人参叶作为传统医学中增强记忆力的根的替代来源以及对2和5的抗痴呆作用进行进一步研究提供了科学依据。

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