Molecular modelling and docking analysis of a modelled trmB protein from Pseudomonas aeruginosa with selected chemical compounds.

IF 1.9
Bioinformation Pub Date : 2025-04-30 eCollection Date: 2025-01-01 DOI:10.6026/973206300210657
Sakshi Bhati, Imteyaz Qamar, Nagendra Singh
{"title":"Molecular modelling and docking analysis of a modelled <i>trmB</i> protein from <i>Pseudomonas aeruginosa</i> with selected chemical compounds.","authors":"Sakshi Bhati, Imteyaz Qamar, Nagendra Singh","doi":"10.6026/973206300210657","DOIUrl":null,"url":null,"abstract":"<p><p>Antimicrobial resistance (AMR) threatens global health with rising antibiotic-resistant infections, requiring novel antimicrobial targets. Therefore, it is of interest to report the molecular modeling and docking analysis <i>trmB</i> from <i>Pseudomonas aeruginosa</i> with suitable compounds. We show two compounds (5136 and 9865603) from the chemical library have optimal binding with the modelled <i>trmB</i> from <i>Pseudomonas aeruginosa</i> for further consideration.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"21 4","pages":"657-664"},"PeriodicalIF":1.9000,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12236524/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Bioinformation","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.6026/973206300210657","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

Antimicrobial resistance (AMR) threatens global health with rising antibiotic-resistant infections, requiring novel antimicrobial targets. Therefore, it is of interest to report the molecular modeling and docking analysis trmB from Pseudomonas aeruginosa with suitable compounds. We show two compounds (5136 and 9865603) from the chemical library have optimal binding with the modelled trmB from Pseudomonas aeruginosa for further consideration.

铜绿假单胞菌trmB蛋白模型的分子建模及与选定化合物的对接分析。
抗菌素耐药性(AMR)威胁着全球健康,抗生素耐药感染不断增加,需要新的抗菌素靶点。因此,有兴趣报道铜绿假单胞菌与合适化合物的分子建模和对接分析。我们发现化学文库中的两个化合物(5136和9865603)与铜绿假单胞菌的模型trmB结合最佳,供进一步考虑。
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
Bioinformation
Bioinformation MATHEMATICAL & COMPUTATIONAL BIOLOGY-
自引率
0.00%
发文量
128
×
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:604180095
Book学术官方微信