Molecular Dynamics Simulation and NMR Investigation of the Association of the β-Blockers Atenolol and Propranolol with a Chiral Molecular Micelle

Molecular dynamics simulations and NMR spectroscopy were used to compare the binding of two β-blocker drugs to the chiral molecular micelle poly-(sodium undecyl-(L)-leucine-valine). The molecular micelle is used as a chiral selector in capillary electrophoresis. This study is part of a larger effort...

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Publicado no:Chem Phys
Main Authors: Morris, Kevin F., Billiot, Eugene J., Billiot, Fereshteh H., Hoffman, Charlene B., Gladis, Ashley A., Lipkowitz, Kenny B., Southerland, William M., Fang, Yayin
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4527343/
https://ncbi.nlm.nih.gov/pubmed/26257464
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.chemphys.2015.05.024
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