Solution NMR studies of cell-penetrating peptides in model membrane systems

2013 ◽  
Vol 65 (8) ◽  
pp. 1002-1011 ◽  
Author(s):  
Lena Mäler
Keyword(s):  
Cell Penetrating Peptides ◽  
Model Membrane ◽  
Solution Nmr ◽  
Membrane Systems ◽  
Nmr Studies ◽  
Cell Penetrating

scholarly journals Free Energy Analyses of Cell-Penetrating Peptides Using the Weighted Ensemble Method

Membranes ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 974
Author(s):  
Seungho Choe
Keyword(s):  
Drug Delivery ◽  
Free Energy ◽  
Cell Penetrating Peptides ◽  
Model Membrane ◽  
Model Membranes ◽  
Ensemble Method ◽  
Sampling Techniques ◽  
Path Sampling ◽  
Transport Mechanisms ◽  
Cell Penetrating

Cell-penetrating peptides (CPPs) have been widely used for drug-delivery agents; however, it has not been fully understood how they translocate across cell membranes. The Weighted Ensemble (WE) method, one of the most powerful and flexible path sampling techniques, can be helpful to reveal translocation paths and free energy barriers along those paths. Within the WE approach we show how Arg9 (nona-arginine) and Tat interact with a DOPC/DOPG(4:1) model membrane, and we present free energy (or potential mean of forces, PMFs) profiles of penetration, although a translocation across the membrane has not been observed in the current simulations. Two different compositions of lipid molecules were also tried and compared. Our approach can be applied to any CPPs interacting with various model membranes, and it will provide useful information regarding the transport mechanisms of CPPs.

Conformational Study of Lipophilic Ligands in Phospholipid Model Membrane Systems by Solution NMR

2003 ◽  
Vol 46 (23) ◽  
pp. 4838-4846 ◽  
Author(s):  
Jianxin Guo ◽  
Spiro Pavlopoulos ◽  
Xiaoyu Tian ◽  
Dai Lu ◽  
Spyros P. Nikas ◽  
...  
Keyword(s):  
Model Membrane ◽  
Solution Nmr ◽  
Conformational Study ◽  
Membrane Systems

NMR Studies of the Inclusion Complexes Between Ezetimibe and Cyclodextrins

2018 ◽  
Vol 69 (7) ◽  
pp. 1838-1841
Author(s):  
Hajnal Kelemen ◽  
Angella Csillag ◽  
Bela Noszal ◽  
Gabor Orgovan
Keyword(s):  
Inclusion Complex ◽  
Inclusion Complexes ◽  
Water Solubility ◽  
Solution Nmr ◽  
Spectroscopic Techniques ◽  
Nmr Studies ◽  
The Poor ◽  
Poor Water Solubility

Ezetimibe, the antihyperlipidemic drug of poor bioavailability was complexed with native and derivatized cyclodextrins.The complexes were characterized in terms stability, stoichiometry and structure using various 1D and 2D solution NMR spectroscopic techniques. The complexes were found to be of moderate stability (logK[3). The least stable inclusion complex is formed with b-cyclodextrin, while the ezetimibe-methylated-b--cyclodextrin has a 7-fold higher stability. The results can be useful to improve the poor water-solubility and the concomitant bioavailability of ezetimibe.

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