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赛科亚胡胺A,一种来自……的氧化开环异喹啉内盐 。 (你提供的原文不完整,“From”后面缺少具体内容)

Secoyanhusamine A, an Oxidatively Ring-Opened Isoquinoline Inner Salt From .

作者信息

Wang Lingyan, Xia Huan, Wu Yuzhuo, Wang Yanan, Lin Pengcheng, Lin Sheng

机构信息

Key Laboratory of Chinese Internal Medicine of Ministry of Education and Beijing, Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing, China.

State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China.

出版信息

Front Chem. 2022 Feb 1;9:831173. doi: 10.3389/fchem.2021.831173. eCollection 2021.

DOI:10.3389/fchem.2021.831173
PMID:35178381
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8843934/
Abstract

Secoyanhusamine A (), a rare rearranged -isoquinoline alkaloid derived from ring oxidative cleavage, was isolated from an aqueous extract of tubers, together with its biosynthetic precursor dehydrocorybulbine (). Secoyanhusamine A () was the first example of a highly oxidized isoquinoline inner salt resulting in a 5-(2-azanylethyl)-2-carboxylate-4-oxo-4-pyran ring system. The biosynthetic pathway of was also postulated. Secoyanhusamine A () exhibited potent inhibition against acetylcholinesterase (AChE) with an IC value of 0.81 ± 0.13 M. Molecular simulation docking demonstrated that created a strong interaction with the Asp-74 residue of AChE attractive charge of the quaternary nitrogen.

摘要

赛科亚胡胺A()是一种通过环氧化裂解得到的罕见重排异喹啉生物碱,从块茎的水提取物中分离得到,与其生物合成前体脱氢紫堇碱()一起。赛科亚胡胺A()是高度氧化异喹啉内盐的首个实例,形成了一个5-(2-氨乙基)-2-羧酸盐-4-氧代-4-吡喃环系统。还推测了其生物合成途径。赛科亚胡胺A()对乙酰胆碱酯酶(AChE)表现出强效抑制作用,IC值为0.81±0.13 μM。分子模拟对接表明,它与AChE的Asp-74残基产生了强烈相互作用,这是由于季铵氮的吸引电荷。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/39609505292f/fchem-09-831173-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/428cedec1eb2/fchem-09-831173-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/c5e89b2cc00a/fchem-09-831173-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/9665ab47d4cc/fchem-09-831173-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/39609505292f/fchem-09-831173-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/428cedec1eb2/fchem-09-831173-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/c5e89b2cc00a/fchem-09-831173-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/9665ab47d4cc/fchem-09-831173-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/86b6/8843934/39609505292f/fchem-09-831173-g004.jpg

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