Anti-inflammatory Activity: In silico and In vivo of Sapogenins Present in Agave brittoniana subsp. brachypus (Trel.).

Q2 Medicine Anti-Inflammatory and Anti-Allergy Agents in Medicinal Chemistry Pub Date : 2023-01-01 DOI:10.2174/1871523022666230419103027

Dayana Resino-Ruiz, Yisel Gonzalez-Madariaga, Leisy Nieto, Yilka Mena Linares, Jose Orestes Guerra León, Arlena Vázquez Martín, Arianna Valido Díaz, Francisco Torrens, Juan A Castillo-Garit

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Abstract

Background: Agave brittoniana subsp. brachypus is an endemic plant of Cuba, which contains different steroidal sapogenins with anti-inflammatory effects. This work aims to develop computational models which allow the identification of new chemical compounds with potential anti-inflammatory activity.

Methods: The in vivo anti-inflammatory activity was evaluated in two rat models: carrageenaninduced paw edema and cotton pellet-induced granuloma. In each study, we used 30 Sprague Dawley male rats divided into five groups containing six animals. The products isolated and administrated were fraction rich in yuccagenin and sapogenins crude.

Results: The obtained model, based on a classification tree, showed an accuracy value of 86.97% for the training set. Seven compounds (saponins and sapogenins) were identified as potential antiinflammatory agents in the virtual screening. According to in vivo studies, the yuccagenin-rich fraction was the greater inhibitor of the evaluated product from Agave.

Conclusion: The evaluated metabolites of the Agave brittoniana subsp. Brachypus showed an interesting anti-inflammatory effect.

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抗炎活性：火龙舌兰中皂苷的体内外实验研究。brachypus（树）。

背景：龙舌兰亚种。brachypus是古巴的特有植物，含有不同的具有抗炎作用的甾体皂苷。这项工作旨在开发计算模型，以便识别具有潜在抗炎活性的新化合物。方法：在卡拉胶诱导的足跖水肿和棉球诱导的肉芽肿两种大鼠模型中评价体内抗炎活性。在每项研究中，我们使用了30只Sprague-Dawley雄性大鼠，分为五组，每组六只。分离和给药的产物是富含丝兰素和皂素粗品的级分。结果：所获得的基于分类树的模型对训练集的准确率为86.97%。在虚拟筛选中，七种化合物（皂苷和皂苷元）被鉴定为潜在的抗炎剂。根据体内研究，富含丝兰素的部分是龙舌兰评价产物的较大抑制剂。Brachypus显示出有趣的抗炎作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Anti-Inflammatory and Anti-Allergy Agents in Medicinal Chemistry Pharmacology, Toxicology and Pharmaceutics-Pharmacology

CiteScore

3.30

自引率

0.00%

发文量

期刊介绍： Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry aims to cover all the latest and outstanding developments in medicinal chemistry and rational drug design for the discovery of new anti-inflammatory & anti-allergy agents. Publishing a series of timely in-depth reviews written by leaders in the field covering a range of current topics, Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments in the field.