Enantioseparation of Four Organophosphonate Derivatives on N‐(3,5‐Dinitrobenzoyl)‐ l‐leucine–n‐Propylamide Stationary Phase by Molecular Modeling |
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| Authors: | Bing Liu Yong Zhou Guo‐Sheng Yang Hassan Y Aboul‐Enein |
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| Institution: | 1. Department of Chemistry, Xinxiang University, , Xinxiang, People's Republic of China;2. School of Chemistry and Chemical Engineering, Shandong University, , Jinan, People's Republic of China;3. Pharmaceutical and Medicinal Chemistry Department, Pharmaceutical and Drug Industries Research Division, National Research Centre, , Cairo, Egypt |
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| Abstract: | 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 25:101–106, 2013. © 2012 Wiley Periodicals, Inc. |
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| Keywords: | organophosphonate derivatives enantiomers chiral separation N‐(3 5‐dinitrobenzoyl)‐S‐leucine chiral stationary phase molecular model molecular dynamics simulation |
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