Biochemical and in silico study of leaf extract from Rumex dentatus against Staphylococcus aureus

Q3 Biochemistry, Genetics and Molecular Biology
M. Moniruzzaman, M. Mostari, Shirmin Islam, M. Jinnah, Jui Biswas, Suvro Biswas, S. Zaman, M. Saleh, M. Uddin
{"title":"Biochemical and in silico study of leaf extract from Rumex dentatus against Staphylococcus aureus","authors":"M. Moniruzzaman, M. Mostari, Shirmin Islam, M. Jinnah, Jui Biswas, Suvro Biswas, S. Zaman, M. Saleh, M. Uddin","doi":"10.5455/jabet.2023.d126","DOIUrl":null,"url":null,"abstract":"Rumex dentatus is a medicinal plant with a variety of bioactive components that can be used to treat infections and multidrug-resistant (MDR) microbes. MDR microbes associated with infection pose a real threat and the available antibiotics can no longer be used to control or kill those bacteria. Thus, the study aimed to ascertain the antibacterial activity of Rumex dentatus leaf extract and identify a potent compound that can be used as a drug developmental agent may against Staphylococcus aureus. Disc diffusion method, mortality assay of brine shrimp, and DPPH free radical scavenging assay were carried out for in vitro analysis. Standard computational tools and servers such as Pymol, PyRx, and Discovery Studio were used for carrying out the in silico studies. Staphylococcus aureus was isolated from the infected area of eczema sufferers and identified through morphological, biochemical, and 16SrRNA sequence analysis. Rumex dentatus leaf extract was diluted with methanol and it showed the maximum zone of inhibition (14.33 ± 0.68 mm) after applying it against Staphylococcus aureus at the dose of 150µg/disc. Furthermore, the extract revealed remarkable antioxidant activity and the death rate of brine shrimp and leaf extract concentration were positively connected. Finding pharmacological targets with a high affinity for the FosB (4nb2) protein, which controls antibiotic resistance in Staphylococcus aureus, was done via molecular docking. 1-Alpha-18O-1,25-dihydroxycholecalciferol (CID- 5280453), Androstan-3-ol, 9-methyl-(3 beta,5 alpha) (CID- 22215820), Phenylacetaldehyde (CID- 998), and Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- methyl ester (CID- 62603) substances had binding energies of -6.8 Kcal/mol, -6.6 Kcal/mol, -5.6 kcal/mol, and -5.5 kcal/mol, respectively. As an organic source of medicines, Rumex dentatus leaf extract could thus be used to combat the antimicrobial-resistant pathogen.","PeriodicalId":36275,"journal":{"name":"Journal of Advanced Biotechnology and Experimental Therapeutics","volume":"1 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Advanced Biotechnology and Experimental Therapeutics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.5455/jabet.2023.d126","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Biochemistry, Genetics and Molecular Biology","Score":null,"Total":0}
引用次数: 1

Abstract

Rumex dentatus is a medicinal plant with a variety of bioactive components that can be used to treat infections and multidrug-resistant (MDR) microbes. MDR microbes associated with infection pose a real threat and the available antibiotics can no longer be used to control or kill those bacteria. Thus, the study aimed to ascertain the antibacterial activity of Rumex dentatus leaf extract and identify a potent compound that can be used as a drug developmental agent may against Staphylococcus aureus. Disc diffusion method, mortality assay of brine shrimp, and DPPH free radical scavenging assay were carried out for in vitro analysis. Standard computational tools and servers such as Pymol, PyRx, and Discovery Studio were used for carrying out the in silico studies. Staphylococcus aureus was isolated from the infected area of eczema sufferers and identified through morphological, biochemical, and 16SrRNA sequence analysis. Rumex dentatus leaf extract was diluted with methanol and it showed the maximum zone of inhibition (14.33 ± 0.68 mm) after applying it against Staphylococcus aureus at the dose of 150µg/disc. Furthermore, the extract revealed remarkable antioxidant activity and the death rate of brine shrimp and leaf extract concentration were positively connected. Finding pharmacological targets with a high affinity for the FosB (4nb2) protein, which controls antibiotic resistance in Staphylococcus aureus, was done via molecular docking. 1-Alpha-18O-1,25-dihydroxycholecalciferol (CID- 5280453), Androstan-3-ol, 9-methyl-(3 beta,5 alpha) (CID- 22215820), Phenylacetaldehyde (CID- 998), and Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- methyl ester (CID- 62603) substances had binding energies of -6.8 Kcal/mol, -6.6 Kcal/mol, -5.6 kcal/mol, and -5.5 kcal/mol, respectively. As an organic source of medicines, Rumex dentatus leaf extract could thus be used to combat the antimicrobial-resistant pathogen.
牙鼠叶提取物对金黄色葡萄球菌的生物化学和计算机模拟研究
齿牙蛇是一种具有多种生物活性成分的药用植物,可用于治疗感染和耐多药微生物。与感染相关的耐多药微生物构成了真正的威胁,现有的抗生素无法再用于控制或杀死这些细菌。因此,本研究旨在确定牙梅叶提取物的抑菌活性,并鉴定出一种可作为抗金黄色葡萄球菌药物发育剂的有效化合物。采用圆盘扩散法、卤虾死亡率法和DPPH自由基清除法进行体外分析。标准的计算工具和服务器,如Pymol、PyRx和Discovery Studio被用于进行计算机研究。从湿疹患者感染区分离金黄色葡萄球菌,通过形态学、生化和16SrRNA序列分析对其进行鉴定。用甲醇稀释牙梅叶提取物,当剂量为150µg/片时,对金黄色葡萄球菌的抑制区最大(14.33±0.68 mm)。此外,叶提取物具有显著的抗氧化活性,其对虾死亡率与叶提取物浓度呈正相关。通过分子对接,找到了与控制金黄色葡萄球菌抗生素耐药性的FosB (4nb2)蛋白高亲和力的药理学靶点。1- α - 18o -1,25-二羟基胆钙化醇(CID- 5280453)、雄甾烷-3-醇9-甲基-(3 β,5 α) (CID- 22215820)、苯乙醛(CID- 998)和苯丙酸3,5-二(1,1-二甲基乙基)-4-羟基甲酯(CID- 62603)物质的结合能分别为-6.8 Kcal/mol、-6.6 Kcal/mol、-5.6 Kcal/mol和-5.5 Kcal/mol。作为一种有机的药物来源,狐猴叶提取物可以用来对抗抗菌素抗性病原体。
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
Journal of Advanced Biotechnology and Experimental Therapeutics
Journal of Advanced Biotechnology and Experimental Therapeutics Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (all)
CiteScore
1.90
自引率
0.00%
发文量
41
审稿时长
8 weeks
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信