氨基甲酸酯类农药中间体对大肠杆菌膜结构的影响:体外和室内研究。

Environmental analysis, health and toxicology Pub Date : 2021-09-01 Epub Date: 2021-08-25 DOI:10.5620/eaht.2021020
Pushpendra Singh, Manish Kumar Tripathi, Mohammad Yasir, Ashish Ranjan, Rahul Shrivastava
{"title":"氨基甲酸酯类农药中间体对大肠杆菌膜结构的影响:体外和室内研究。","authors":"Pushpendra Singh,&nbsp;Manish Kumar Tripathi,&nbsp;Mohammad Yasir,&nbsp;Ashish Ranjan,&nbsp;Rahul Shrivastava","doi":"10.5620/eaht.2021020","DOIUrl":null,"url":null,"abstract":"<p><p>Methyl isocyanate (MIC), a low molecular weight synthetic aliphatic compound, having an isocyanate group (-NCO), has industrial application. In this study, the effects of methyl isocyanate and its mechanism on outer membrane protein of Escherichia coli were observed using experimental and computational methods. In vitro exposure of N-succinimidyl N-methylcarbamate (NSNM) a synthetic analogue of MIC on E. coli to a final concentration of 2 mM was found to affect the growth curve pattern and changes in cell morphology. Molecular docking studies of MIC and NSNM with E. coli outer membrane protein (OmpW, OmpX, OmpF OmpA), and periplasmic domain (PAL) were performed. The in-silico results revealed that outer membrane protein OmpF showed the highest negative binding energy, i.e. ∆G -4.11 kcal/mole and ∆G -3.19 kcal/mole by NSNM and MIC as compared to other proteins. Our study concludes that methyl isocyanate retains lethal toxicity which leads to cell death due to the membrane protein damage of E. coli membrane.</p>","PeriodicalId":11867,"journal":{"name":"Environmental analysis, health and toxicology","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ftp.ncbi.nlm.nih.gov/pub/pmc/oa_pdf/a5/c2/eaht-36-3-e2021020.PMC8598408.pdf","citationCount":"2","resultStr":"{\"title\":\"Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach.\",\"authors\":\"Pushpendra Singh,&nbsp;Manish Kumar Tripathi,&nbsp;Mohammad Yasir,&nbsp;Ashish Ranjan,&nbsp;Rahul Shrivastava\",\"doi\":\"10.5620/eaht.2021020\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Methyl isocyanate (MIC), a low molecular weight synthetic aliphatic compound, having an isocyanate group (-NCO), has industrial application. In this study, the effects of methyl isocyanate and its mechanism on outer membrane protein of Escherichia coli were observed using experimental and computational methods. In vitro exposure of N-succinimidyl N-methylcarbamate (NSNM) a synthetic analogue of MIC on E. coli to a final concentration of 2 mM was found to affect the growth curve pattern and changes in cell morphology. Molecular docking studies of MIC and NSNM with E. coli outer membrane protein (OmpW, OmpX, OmpF OmpA), and periplasmic domain (PAL) were performed. The in-silico results revealed that outer membrane protein OmpF showed the highest negative binding energy, i.e. ∆G -4.11 kcal/mole and ∆G -3.19 kcal/mole by NSNM and MIC as compared to other proteins. Our study concludes that methyl isocyanate retains lethal toxicity which leads to cell death due to the membrane protein damage of E. coli membrane.</p>\",\"PeriodicalId\":11867,\"journal\":{\"name\":\"Environmental analysis, health and toxicology\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://ftp.ncbi.nlm.nih.gov/pub/pmc/oa_pdf/a5/c2/eaht-36-3-e2021020.PMC8598408.pdf\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Environmental analysis, health and toxicology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.5620/eaht.2021020\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2021/8/25 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Environmental analysis, health and toxicology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.5620/eaht.2021020","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2021/8/25 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2

摘要

异氰酸甲酯(Methyl isoocyanate, MIC)是一种具有异氰酸基(-NCO)的低分子量合成脂肪族化合物,具有工业应用价值。本研究采用实验和计算相结合的方法,观察了异氰酸甲酯对大肠杆菌外膜蛋白的影响及其作用机制。n -琥珀酰氨基酰基n -甲基氨基甲酸酯(NSNM)是一种合成的MIC在大肠杆菌上的类似物,在体外暴露于终浓度为2 mM时,可以影响生长曲线模式和细胞形态的变化。进行了MIC和NSNM与大肠杆菌外膜蛋白(OmpW、OmpX、OmpF OmpA)和质周结构域(PAL)的分子对接研究。结果表明,与其他蛋白相比,NSNM和MIC作用下外膜蛋白OmpF的负结合能最高,分别为∆G -4.11 kcal/mol和∆G -3.19 kcal/mol。我们的研究表明,异氰酸甲酯保留了致命毒性,导致大肠杆菌膜蛋白损伤导致细胞死亡。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach.

Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach.

Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach.

Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach.

Methyl isocyanate (MIC), a low molecular weight synthetic aliphatic compound, having an isocyanate group (-NCO), has industrial application. In this study, the effects of methyl isocyanate and its mechanism on outer membrane protein of Escherichia coli were observed using experimental and computational methods. In vitro exposure of N-succinimidyl N-methylcarbamate (NSNM) a synthetic analogue of MIC on E. coli to a final concentration of 2 mM was found to affect the growth curve pattern and changes in cell morphology. Molecular docking studies of MIC and NSNM with E. coli outer membrane protein (OmpW, OmpX, OmpF OmpA), and periplasmic domain (PAL) were performed. The in-silico results revealed that outer membrane protein OmpF showed the highest negative binding energy, i.e. ∆G -4.11 kcal/mole and ∆G -3.19 kcal/mole by NSNM and MIC as compared to other proteins. Our study concludes that methyl isocyanate retains lethal toxicity which leads to cell death due to the membrane protein damage of E. coli membrane.

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
0
×
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