标题:Enantioseparation of Four Organophosphonate Derivatives on N-(3,5-Dinitrobenzoyl)- l-leucine-n-Propylamide Stationary Phase by Molecular Modeling
作者:Liu, Bing; Zhou, Yong; Yang, Guo-Sheng; Aboul-Enein, Hassan Y.
作者机构:[Liu, Bing; Zhou, Yong] Xinxiang Univ, Dept Chem, Xinxiang, Peoples R China.; [Yang, Guo-Sheng] Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, P 更多
通讯作者:AboulEnein, HY
通讯作者地址:[AboulEnein, HY]Natl Res Ctr, Pharmaceut & Med Chem Dept, Pharmaceut & Drug Ind Res Div, Cairo 12311, Egypt.
来源:CHIRALITY
出版年:2013
卷:25
期:2
页码:101-106
DOI:10.1002/chir.22117
关键词:organophosphonate derivatives enantiomers; chiral separation; N-(3;; 5-dinitrobenzoyl)-S-leucine chiral stationary phase; molecular model;; molecular dynamics simulation
摘要:Four groups of organophosphonate derivatives enantiomers were separated on N-(3,5-dinitrobenzoyl)-S-leucine chiral stationary phase. The three-dimensional structures of the complexes between the single enantiotopic chiral compounds and chiral stationary phase have been studied using molecular model and molecular dynamics simulation. Detailed results regarding the conformation, auto-docking, and thermodynamic estimation are presented. The elution order of the enantiomer could be determined from the energy. The predicted chiral discrimination was obtained by computational results. Chirality 25:101106, 2013. (c) 2012 Wiley Periodicals, Inc.
收录类别:SCOPUS;SCIE
WOS核心被引频次:3
Scopus被引频次:3
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84872866733&doi=10.1002%2fchir.22117&partnerID=40&md5=78fcfdfb6b7b8958f7d1ce7acde8c563
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