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分子网络揭示卷柏中类黄酮和卷柏素的化学多样性。

Molecular Networking Discloses the Chemical Diversity of Flavonoids and Selaginellins in Selaginella convoluta.

机构信息

Department of Pharmacy, Federal University of Rio Grande do Norte (UFRN), Natal/RN, Brazil.

Faculty of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo (FCFRP-USP), Ribeirão Preto/SP, Brazil.

出版信息

Planta Med. 2021 Feb;87(1-02):113-123. doi: 10.1055/a-1315-0666. Epub 2020 Dec 9.

DOI:10.1055/a-1315-0666
PMID:33296938
Abstract

is a desiccation tolerant plant native to the Brazilian semiarid region (Caatinga), endowed with an effective drought resistance mechanism. As part of our research efforts to understand the chemical diversity of dehydrated (harvested in their natural habitat in the dry season) and hydrated (plant acclimated in a laboratory after rehydration) specimens were analyzed by HR-LC-ESI-MS/MS followed by a structural annotation on the Global Natural Products Social Molecular Networking Web platform. The molecular networking approach allowed for putative annotation of 39 metabolites, mainly selaginellins and flavonoids. Based on MS/MS data, three unprecedented selaginellins were annotated: 29-hydroxy selaginellin O, 29-hydroxy selaginellin A, and 4-{2-(4-hydrophenyl)-6-[2-(4-hydroxyphenyl)ethynyl]phenylmethyl}benzaldehyde. Th results pointed out that valuable scientific knowledge can be obtained from studies conducted with plants in their natural habitat by allowing a more realistic profile of chemical diversity. The present study adds new information on specialized metabolites of , mainly flavonoids and selaginellins, and highlights the species as an untapped source of chemobiodiversity from Caatinga.

摘要

是一种耐旱植物,原产于巴西半干旱地区(Caatinga),具有有效的抗旱机制。作为我们研究工作的一部分,我们分析了脱水(在旱季自然栖息地收获)和水合(在实验室中重新水合后适应的植物)标本的 HR-LC-ESI-MS/MS,然后在全球天然产物社会分子网络平台上进行结构注释。分子网络方法允许对 39 种代谢物进行可能的注释,主要是卷柏素和类黄酮。基于 MS/MS 数据,注释了三种前所未有的卷柏素:29-羟基卷柏素 O、29-羟基卷柏素 A 和 4-[[2-(4- 基)-6-[2-(4-羟基苯基)乙炔基]苯基](4-氧代环己-2,5-二烯-1-基)亚甲基]苯甲醛。研究结果表明,通过允许更真实的化学多样性概况,可以从在其自然栖息地进行的植物研究中获得有价值的科学知识。本研究增加了关于 的特殊代谢物的新信息,主要是类黄酮和卷柏素,并强调该物种是来自卡廷加的化学生物多样性的未开发来源。

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