类胡萝卜素环基折叠态的理论描述

M. Surkov, A. A. Mamchur, T. Stanishneva-Konovalova, A. Rubin, I. Yaroshevich
{"title":"类胡萝卜素环基折叠态的理论描述","authors":"M. Surkov, A. A. Mamchur, T. Stanishneva-Konovalova, A. Rubin, I. Yaroshevich","doi":"10.55959/su0137-0952-16-79-1-5","DOIUrl":null,"url":null,"abstract":"Carotenoids are one of the largest classes among biological pigments. They are found both in free form (dissolved in hydrophobic environments), and bound in stoichiometric complexes with protein (carotenoproteins). The interaction between the carotenoid and the protein environment is determined by the molecular conformation and dynamic behavior of the cofactor. In this work, using molecular modeling methods, we analyzed the entire set of alternative conformational states of cyclic carotenoids. The result of the theoretical study is an energysorted catalog of alternative conformational states for biogenic cyclic carotenoids and their optical isomers. The conformational states characterized in this study can be used to correctly select initial conditions when solving problems of molecular modeling of carotenoproteins","PeriodicalId":334823,"journal":{"name":"Vestnik Moskovskogo universiteta. Seria 16. Biologia","volume":"40 8","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"THEORETICAL DESCRIPTION OF PUCKER STATES OF CYCLIC GROUPS OF CAROTENOIDS\",\"authors\":\"M. Surkov, A. A. Mamchur, T. Stanishneva-Konovalova, A. Rubin, I. Yaroshevich\",\"doi\":\"10.55959/su0137-0952-16-79-1-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Carotenoids are one of the largest classes among biological pigments. They are found both in free form (dissolved in hydrophobic environments), and bound in stoichiometric complexes with protein (carotenoproteins). The interaction between the carotenoid and the protein environment is determined by the molecular conformation and dynamic behavior of the cofactor. In this work, using molecular modeling methods, we analyzed the entire set of alternative conformational states of cyclic carotenoids. The result of the theoretical study is an energysorted catalog of alternative conformational states for biogenic cyclic carotenoids and their optical isomers. The conformational states characterized in this study can be used to correctly select initial conditions when solving problems of molecular modeling of carotenoproteins\",\"PeriodicalId\":334823,\"journal\":{\"name\":\"Vestnik Moskovskogo universiteta. Seria 16. Biologia\",\"volume\":\"40 8\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-06-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Vestnik Moskovskogo universiteta. Seria 16. Biologia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.55959/su0137-0952-16-79-1-5\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vestnik Moskovskogo universiteta. Seria 16. Biologia","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.55959/su0137-0952-16-79-1-5","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

类胡萝卜素是生物色素中最大的类别之一。类胡萝卜素既可以自由形式存在(溶解在疏水环境中),也可以与蛋白质(胡萝卜素蛋白)按一定比例结合成复合物。类胡萝卜素与蛋白质环境之间的相互作用由辅助因子的分子构象和动态行为决定。在这项工作中,我们利用分子建模方法分析了环状类胡萝卜素的整套备选构象状态。理论研究的结果是为生物环类胡萝卜素及其光学异构体的可选构象状态编制了一份能量分类目录。在解决胡萝卜素蛋白分子建模问题时,可以利用本研究表征的构象状态正确选择初始条件。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
THEORETICAL DESCRIPTION OF PUCKER STATES OF CYCLIC GROUPS OF CAROTENOIDS
Carotenoids are one of the largest classes among biological pigments. They are found both in free form (dissolved in hydrophobic environments), and bound in stoichiometric complexes with protein (carotenoproteins). The interaction between the carotenoid and the protein environment is determined by the molecular conformation and dynamic behavior of the cofactor. In this work, using molecular modeling methods, we analyzed the entire set of alternative conformational states of cyclic carotenoids. The result of the theoretical study is an energysorted catalog of alternative conformational states for biogenic cyclic carotenoids and their optical isomers. The conformational states characterized in this study can be used to correctly select initial conditions when solving problems of molecular modeling of carotenoproteins
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:604180095
Book学术官方微信