Antimicrobial and Molecular Docking Studies of Anthrones from the Leaf Latex of Aloe pirottae A. Berger against Some Plant Pathogenic Microbes

IF 1.5 4区医学 Q4 CHEMISTRY, MEDICINAL

Natural Product Communications Pub Date : 2024-09-07 DOI:10.1177/1934578x241281497

Shewaneh Ayele, Misgana Aragaw, Denberu Kebede, Bayoush Birke, Daniel Bisrat

{"title":"Antimicrobial and Molecular Docking Studies of Anthrones from the Leaf Latex of Aloe pirottae A. Berger against Some Plant Pathogenic Microbes","authors":"Shewaneh Ayele, Misgana Aragaw, Denberu Kebede, Bayoush Birke, Daniel Bisrat","doi":"10.1177/1934578x241281497","DOIUrl":null,"url":null,"abstract":"Objective/Background: Aloe pirottae A. Berger has traditionally been used in Ethiopia to treat various ailments. While previous studies have examined the antimicrobial activity of different parts of A. pirottae against human pathogens, this study aimed to investigate whether its antimicrobial activity extends to plant pathogenic bacteria and fungi. Methods: Compounds were isolated from the leaf latex of A. pirottae using silica gel column chromatography, and their structures were determined using 1H-NMR, 13C-NMR, and ESI-MS spectral data. Both the leaf latex and the isolated compounds were evaluated for their antimicrobial activity against three bacterial ( Pseudomonas syringae pv. gaarcae, Ralstonia solanacearum and Xanthomonas vasicola pv. musacearum) and three fungal ( Fusarium graminarum, Fusaium oxysporum, and Fusarium solani) plant pathogens. Results: A mixture of two diastereoisomeric anthrones was isolated from the leaf latex of A. pirottae and characterized as aloin A/B using 1H-NMR, 13C-NMR, and ESI-MS. Aloin A/B showed the most potent activity against X. vasicola among the bacteria and F. oxysporum among the fungi strains tested, with minimum inhibitory concentrations (MIC) of 3.12 mg/mL and 6.25 mg/mL, respectively. Further exploration uncovered strong binding affinity of aloin A/B towards key proteins in these pathogens, specifically with topoisomerase II (−10.060 kcal/mol) and UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2, 6-diaminopimelate ligase (murE) (−8.861 kcal/mol) in F. oxysporum and X. vasicola, respectively, through molecular docking studies. Conclusion: The present findings highlight aloin A/B as promising natural antimicrobial agents and lead compounds for new plant pathogen treatments. Further research is recommended to explore their activity against a wider range of plant pathogens.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"88 1","pages":""},"PeriodicalIF":1.5000,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Natural Product Communications","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1177/1934578x241281497","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}

引用次数: 0

Abstract

Objective/Background: Aloe pirottae A. Berger has traditionally been used in Ethiopia to treat various ailments. While previous studies have examined the antimicrobial activity of different parts of A. pirottae against human pathogens, this study aimed to investigate whether its antimicrobial activity extends to plant pathogenic bacteria and fungi. Methods: Compounds were isolated from the leaf latex of A. pirottae using silica gel column chromatography, and their structures were determined using 1H-NMR, 13C-NMR, and ESI-MS spectral data. Both the leaf latex and the isolated compounds were evaluated for their antimicrobial activity against three bacterial ( Pseudomonas syringae pv. gaarcae, Ralstonia solanacearum and Xanthomonas vasicola pv. musacearum) and three fungal ( Fusarium graminarum, Fusaium oxysporum, and Fusarium solani) plant pathogens. Results: A mixture of two diastereoisomeric anthrones was isolated from the leaf latex of A. pirottae and characterized as aloin A/B using 1H-NMR, 13C-NMR, and ESI-MS. Aloin A/B showed the most potent activity against X. vasicola among the bacteria and F. oxysporum among the fungi strains tested, with minimum inhibitory concentrations (MIC) of 3.12 mg/mL and 6.25 mg/mL, respectively. Further exploration uncovered strong binding affinity of aloin A/B towards key proteins in these pathogens, specifically with topoisomerase II (−10.060 kcal/mol) and UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2, 6-diaminopimelate ligase (murE) (−8.861 kcal/mol) in F. oxysporum and X. vasicola, respectively, through molecular docking studies. Conclusion: The present findings highlight aloin A/B as promising natural antimicrobial agents and lead compounds for new plant pathogen treatments. Further research is recommended to explore their activity against a wider range of plant pathogens.

查看原文本刊更多论文

从 Aloe pirottae A. Berger 的叶乳汁中提取的蒽酮对一些植物病原微生物的抗菌和分子对接研究

目的/背景：Aloe pirottae A. Berger 在埃塞俄比亚历来被用于治疗各种疾病。之前的研究已经检验了 A. pirottae 不同部位对人类病原体的抗菌活性，本研究旨在调查其抗菌活性是否延伸至植物病原菌和真菌。研究方法采用硅胶柱层析法从A. pirottae的叶乳汁中分离出化合物，并利用1H-NMR、13C-NMR和ESI-MS光谱数据确定其结构。评估了叶乳汁和分离出的化合物对三种细菌（Pseudomonas syringae pv. gaarcae、Ralstonia solanacearum 和 Xanthomonas vasicola pv. musacearum）和三种真菌（Fusarium graminarum、Fusaium oxysporum 和 Fusarium solani）植物病原体的抗菌活性。结果：利用 1H-NMR、13C-NMR 和 ESI-MS 方法，从 A. pirottae 的叶乳汁中分离出了两种非对映异构体的蒽混合物，并将其表征为 Aloin A/B。Aloin A/B 对细菌中的 X. vasicola 和真菌中的 F. oxysporum 表现出最强的活性，最低抑菌浓度（MIC）分别为 3.12 毫克/毫升和 6.25 毫克/毫升。通过分子对接研究，进一步发现阿洛因 A/B与这些病原体中的关键蛋白有很强的结合亲和力，特别是分别与 F. oxysporum 和 X. vasicola 中的拓扑异构酶 II（-10.060 kcal/mol）和 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2, 6-diaminopimelate ligase (murE) （-8.861 kcal/mol）有很强的结合亲和力。结论本研究结果表明，阿罗苷 A/B是一种很有前景的天然抗菌剂，也是治疗新植物病原体的先导化合物。建议进一步开展研究，探索它们对更多植物病原体的活性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Natural Product Communications 工程技术-食品科技

CiteScore

3.10

自引率

11.10%

发文量

254

审稿时长

2.7 months

期刊介绍： Natural Product Communications is a peer reviewed, open access journal studying all aspects of natural products, including isolation, characterization, spectroscopic properties, biological activities, synthesis, structure-activity, biotransformation, biosynthesis, tissue culture and fermentation. It covers the full breadth of chemistry, biochemistry, biotechnology, pharmacology, and chemical ecology of natural products. Natural Product Communications is a peer reviewed, open access journal studying all aspects of natural products, including isolation, characterization, spectroscopic properties, biological activities, synthesis, structure-activity, biotransformation, biosynthesis, tissue culture and fermentation. It covers the full breadth of chemistry, biochemistry, biotechnology, pharmacology, and chemical ecology of natural products. Natural Product Communications is a peer reviewed, open access journal studying all aspects of natural products, including isolation, characterization, spectroscopic properties, biological activities, synthesis, structure-activity, biotransformation, biosynthesis, tissue culture and fermentation. It covers the full breadth of chemistry, biochemistry, biotechnology, pharmacology, and chemical ecology of natural products.