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  • 标题:Estudo in silico de compostos fenólicos isolados de Inga laurina
  • 本地全文:下载
  • 作者:Cristian Kallahan Silva Chagas ; Camilla Eduarda Lima Rolim ; Hanna Patricia dos Santos Martins
  • 期刊名称:Research, Society and Development
  • 电子版ISSN:2525-3409
  • 出版年度:2022
  • 卷号:11
  • 期号:2
  • 页码:1-16
  • DOI:10.33448/rsd-v11i2.25592
  • 语种:English
  • 出版社:Grupo de Pesquisa Metodologias em Ensino e Aprendizagem em Ciências
  • 摘要:Inga laurina Willd, belongs to the Fabaceae family, popularly used against fungal infections, several flavonic compounds have already been isolated from all its parts, but there are few studies that evaluate the pharmacokinetic, toxicological properties and their biological activities of these, due to this, this This article aims to evaluate such properties of flavonic compounds isolated from Inga laurina leaves. ChemSketch software, PreADMET, PASS online and Mcule databases were used. The results showed that Gallocatechin-(4α-8)-4-O-methylgallocatechin, Gallocatechin-(207,48)-4-O-methyl-gallocatechin, Gallocatechin-3-O-galoyl-2-O-7,4(8)-4-O-methylgallocatechin, Myricetin-O-(O-galoyl)-hexoside, Myricetin-3-O-galactoside, Myricetin-galoyl-rhamnoside, Quercetin-3-O-(2-galoyl)-rhamnoside, Myricetin-3-O-acetyl-rhamnoside, Myricetin-3-O-rhamnose-3-O-rhamnoside, (Epi)gallocatechin-3-O-(3,5-O-dimethyl)-gallate, and 4-methyl-(epi)gallocatechin-3-O-)-gallate, none of these substances follow the Lipinski rules, they showed strong hydrophilicity, which may occur due to high degrees of acceptors and low degrees of hydrogen donors, all of which have a polar surface area greater than 140 A2 and low logP, this is still correlated with low intestinal absorption and low permeability for Caco2 and MDCK cells, which corroborate their low oral bioavailability. The compounds showed greater toxicity in more complex organisms (Medaka and Minnow fish), but in simpler organisms they did not show toxicity (algae and Daphnia). All substances have strong antioxidant activity, are free radical scavengers, chemopreventive, anticarcinogenic and antineoplastic, this activity may be correlated with the reduction of reactive oxygen species, preventing them from causing DNA damage and, consequently, carcinogenesis. The substances seem to be promising for anticancer activity, and studies are needed to elucidate the mechanism of action of these substances.
  • 关键词:Inga laurina;Phenolic compounds;Biological activity.
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