利用反向对接技术研究Arenga醋的中药活性成分潜力

D. Hernawati, Reza Fauzi Dwisandi, Egi Nuryadin
{"title":"利用反向对接技术研究Arenga醋的中药活性成分潜力","authors":"D. Hernawati, Reza Fauzi Dwisandi, Egi Nuryadin","doi":"10.22236/j.bes/526802","DOIUrl":null,"url":null,"abstract":"Background: Arenga vinegar (Arenga pinnata) has been trusted by the indigenous people of Kampung Kuta as traditional medicine, one of which is used as a diabetes medicine. For this reason, the aim of this study is to examine the bioactive compounds contained in arenga vinegar, namely acetic acid, which is predicted to be scientifically proven using reverse docking techniques. Methods: This research is descriptive qualitative research, by interpreting the data obtained from databases and software. Results: There is a binding pose between acetic acid and the sucrase-isomaltase enzyme, the lowest binding affinity value is -3.2 kcal/mol, and the binding site occurs hydrophobic interactions with the amino acids Trp327 (A), Asp355 (A), Ile392 (A), Trp470 (A), Phe604 (A), His629 (A), Trp586 (A) as well as hydrogen bonding to the amino acid Asp(472)A. Conclusions: The acetic acid-binding pose binds well to the sucrase-isomaltase enzyme so that the binding affinity value appears even though the value is not too low and the binding site occurs, this can be used as proof of the belief of the indigenous people of Kampung Kuta, namely the treatment of arenga vinegar as a diabetes drug, especially as a level control blood sugar.","PeriodicalId":33216,"journal":{"name":"Bioeduscience","volume":" ","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Potential of Bioactive Compounds of Arenga Vinegar as Traditional Medicine Through Reverse Docking Techniques\",\"authors\":\"D. Hernawati, Reza Fauzi Dwisandi, Egi Nuryadin\",\"doi\":\"10.22236/j.bes/526802\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Background: Arenga vinegar (Arenga pinnata) has been trusted by the indigenous people of Kampung Kuta as traditional medicine, one of which is used as a diabetes medicine. For this reason, the aim of this study is to examine the bioactive compounds contained in arenga vinegar, namely acetic acid, which is predicted to be scientifically proven using reverse docking techniques. Methods: This research is descriptive qualitative research, by interpreting the data obtained from databases and software. Results: There is a binding pose between acetic acid and the sucrase-isomaltase enzyme, the lowest binding affinity value is -3.2 kcal/mol, and the binding site occurs hydrophobic interactions with the amino acids Trp327 (A), Asp355 (A), Ile392 (A), Trp470 (A), Phe604 (A), His629 (A), Trp586 (A) as well as hydrogen bonding to the amino acid Asp(472)A. Conclusions: The acetic acid-binding pose binds well to the sucrase-isomaltase enzyme so that the binding affinity value appears even though the value is not too low and the binding site occurs, this can be used as proof of the belief of the indigenous people of Kampung Kuta, namely the treatment of arenga vinegar as a diabetes drug, especially as a level control blood sugar.\",\"PeriodicalId\":33216,\"journal\":{\"name\":\"Bioeduscience\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-08-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Bioeduscience\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.22236/j.bes/526802\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Bioeduscience","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.22236/j.bes/526802","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1

摘要

背景:槟榔醋(Arenga pinnata)一直被甘榜库塔(Kampung Kuta)的土著人民信任为传统药物,其中一种被用作糖尿病药物。因此,本研究的目的是检测arenga醋中所含的生物活性化合物,即醋酸,预计将通过反向对接技术得到科学证明。方法:本研究采用描述性定性研究,通过对数据库和软件数据的解释。结果:乙酸与蔗糖异麦芽糖酶存在结合关系,最低结合亲和值为-3.2 kcal/mol,结合位点与氨基酸Trp327 (a)、Asp355 (a)、Ile392 (a)、Trp470 (a)、Phe604 (a)、His629 (a)、Trp586 (a)发生疏水相互作用,并与氨基酸Asp(472) a形成氢键。结论:乙酸结合姿态与蔗糖-异麦芽糖酶结合良好,即使值不太低也会出现结合亲和值,并出现结合位点,这可以作为甘榜库塔土著人的信念的证据,即将arenga醋作为糖尿病药物治疗,特别是作为血糖控制水平的药物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Potential of Bioactive Compounds of Arenga Vinegar as Traditional Medicine Through Reverse Docking Techniques
Background: Arenga vinegar (Arenga pinnata) has been trusted by the indigenous people of Kampung Kuta as traditional medicine, one of which is used as a diabetes medicine. For this reason, the aim of this study is to examine the bioactive compounds contained in arenga vinegar, namely acetic acid, which is predicted to be scientifically proven using reverse docking techniques. Methods: This research is descriptive qualitative research, by interpreting the data obtained from databases and software. Results: There is a binding pose between acetic acid and the sucrase-isomaltase enzyme, the lowest binding affinity value is -3.2 kcal/mol, and the binding site occurs hydrophobic interactions with the amino acids Trp327 (A), Asp355 (A), Ile392 (A), Trp470 (A), Phe604 (A), His629 (A), Trp586 (A) as well as hydrogen bonding to the amino acid Asp(472)A. Conclusions: The acetic acid-binding pose binds well to the sucrase-isomaltase enzyme so that the binding affinity value appears even though the value is not too low and the binding site occurs, this can be used as proof of the belief of the indigenous people of Kampung Kuta, namely the treatment of arenga vinegar as a diabetes drug, especially as a level control blood sugar.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
14
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