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叶下珠科(大戟科叶下珠属):民族药理学及计算工具在生物活性分子注释中的应用

L.F. (Phyllanthaceae): Ethnopharmacology and Application of Computational Tools in the Annotation of Bioactive Molecules.

作者信息

Santiago Johan Carlos C, Albuquerque Carlos Alberto B, Muribeca Abraão de Jesus B, Sá Paulo Roberto C, Pamplona Sônia das Graças Santa R, Silva Consuelo Yumiko Y E, Ribera Paula Cardoso, Fontes-Júnior Enéas de Andrade, da Silva Milton Nascimento

机构信息

Laboratory of Liquid Chromatography (Labcrol), Institute of Exact and Natural Sciences, Federal University of Pará, Belém 66075-110, Brazil.

Federal Institute of Pará, Belém 68740-970, Brazil.

出版信息

Metabolites. 2022 Jul 25;12(8):681. doi: 10.3390/metabo12080681.

DOI:10.3390/metabo12080681
PMID:35893248
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9330776/
Abstract

is a shrubby species widely distributed in Brazil from the Amazon to the Atlantic Rainforest. Its bark and fruit are used in the Peruvian Amazon for disinfecting abscesses and as a tonic in pregnancy, respectively, and its leaves are used to treat cancer symptoms. From analyses via UHPLC-MS/MS, we sought to determine the chemical profile of the ethanolic extract of leaves by means of putative analyses supported by computational tools and spectral libraries. Thus, it was possible to annotate 44 compounds, of which 12 are phenolic acid derivatives, 16 are -glycosylated flavonoids and 16 hydrolysable tannins. Among the flavonoids, although they are known, except for kaempferol, which has already been isolated from this species, the other flavonoids (, , , , -, -, -, and ) are being reported for the first time in the genus. Among the hydrolysable tannins, six ellagitannins present the HHDP group (, , , , and ), one presents the DHHDP group (), and four contain oxidatively modified congeners (, , and ). Through the annotation of these compounds, we hope to contribute to the improved chemosystematics knowledge of the genus. Furthermore, supported by a metric review of the literature, we observed that many of the compounds reported here are congeners of authentically bioactive compounds. Thus, we believe that this work may help in understanding future pharmacological activities.

摘要

是一种灌木物种,广泛分布于巴西从亚马逊地区到大西洋雨林。其树皮和果实分别在秘鲁亚马逊地区用于消毒脓肿和作为孕期滋补品,其叶子用于治疗癌症症状。通过超高效液相色谱-串联质谱分析,我们试图借助计算工具和光谱库支持的推测分析来确定该植物叶子乙醇提取物的化学特征。因此,有可能注释出44种化合物,其中12种是酚酸衍生物,16种是β-糖基化黄酮类化合物,16种是可水解单宁。在黄酮类化合物中,除了已经从该物种中分离出来的山奈酚外,其他黄酮类化合物(,,,, -, -, -,和)在该属中首次被报道。在可水解单宁中,六种鞣花单宁含有HHDP基团(,,,,和),一种含有DHHDP基团(),四种含有氧化修饰的同系物(,,和)。通过对这些化合物的注释,我们希望有助于提高该属的化学分类学知识。此外,在对文献的计量学综述支持下,我们观察到这里报道的许多化合物是具有真正生物活性化合物的同系物。因此,我们相信这项工作可能有助于理解未来的药理活性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/18d7d3183734/metabolites-12-00681-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/2ec35c9282bf/metabolites-12-00681-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/aa36896e35c7/metabolites-12-00681-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/0f67ee558c87/metabolites-12-00681-g003a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/5c487947ab13/metabolites-12-00681-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/18d7d3183734/metabolites-12-00681-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/2ec35c9282bf/metabolites-12-00681-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/aa36896e35c7/metabolites-12-00681-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/0f67ee558c87/metabolites-12-00681-g003a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/5c487947ab13/metabolites-12-00681-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b15e/9330776/18d7d3183734/metabolites-12-00681-g005.jpg

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